2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine

C382H291N21O5S6 — CID 157432752

IUPAC2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cccc12.CC(C)Cc1ccc(N(c2cccc(C(C)C)c2)c2ccc3sc4c5cc(N(c6ccc(CC(C)C)cc6)c6cccc(C(C)C)c6)ccc5ccc4c3c2)cc1.Cc1cc(C)cc(N(c2ccc(C)c(C)c2)c2ccc3cc4oc5ccc(N(c6cc(C)cc(C)c6)c6ccc(C)c(C)c6)cc5c4cc3c2)c1.Cc1ccncc1N(c1ccc2ccccc2c1)c1ccc2cc3sc4ccc(N(c5ccc6ccccc6c5)c5cccnc5C)cc4c3cc2c1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4sc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c(N(c6ccccc6)c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc24)cc1.c1ccc(-c2nc(N(c3ccccc3)c3ccc4oc5c(N(c6ccccc6)c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c6ccccc6cc5c4c3)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H45N3S.C60H36N6OS2.C56H40N2O3.C54H56N2S.C52H36N2S.C48H34N4S.C48H44N2O/c1-7-21-46(22-8-1)48-25-19-35-54(41-48)66(52-31-15-5-16-32-52)57-38-40-63-59(43-57)61-45-62(67(53-33-17-6-18-34-53)55-36-20-26-49(42-55)47-23-9-2-10-24-47)58-39-37-56(44-60(58)64(61)68-63)65(50-27-11-3-12-28-50)51-29-13-4-14-30-51;1-5-19-37(20-6-1)51-57-53(44-29-15-17-31-49(44)68-57)63-59(61-51)65(40-24-9-3-10-25-40)42-33-34-48-46(36-42)47-35-39-23-13-14-28-43(39)55(56(47)67-48)66(41-26-11-4-12-27-41)60-62-52(38-21-7-2-8-22-38)58-54(64-60)45-30-16-18-32-50(45)69-58;1-56(2,3)44-30-16-27-41-42-29-18-32-46(54(42)61-52(41)44)57(35-19-6-4-7-20-35)50-38-24-10-11-25-39(38)51(55-49(50)43-26-13-15-34-48(43)60-55)58(36-21-8-5-9-22-36)45-31-17-28-40-37-23-12-14-33-47(37)59-53(40)45;1-35(2)29-39-15-21-44(22-16-39)55(46-13-9-11-42(31-46)37(5)6)48-25-19-41-20-27-50-52-34-49(26-28-53(52)57-54(50)51(41)33-48)56(47-14-10-12-43(32-47)38(7)8)45-23-17-40(18-24-45)30-36(3)4;1-5-17-37(18-6-1)45-25-13-15-27-49(45)53(41-21-9-3-10-22-41)43-30-29-39-34-48-47-32-31-44(36-52(47)55-51(48)35-40(39)33-43)54(42-23-11-4-12-24-42)50-28-16-14-26-46(50)38-19-7-2-8-20-38;1-31-21-23-49-30-46(31)52(40-17-14-34-9-4-6-11-36(34)25-40)41-18-15-37-28-48-43(27-38(37)26-41)44-29-42(19-20-47(44)53-48)51(45-12-7-22-50-32(45)2)39-16-13-33-8-3-5-10-35(33)24-39;1-29-17-30(2)20-43(19-29)49(39-12-9-33(5)35(7)23-39)41-14-11-37-27-48-45(26-38(37)25-41)46-28-42(15-16-47(46)51-48)50(40-13-10-34(6)36(8)24-40)44-21-31(3)18-32(4)22-44/h1-45H;1-36H;4-34H,1-3H3;9-28,31-38H,29-30H2,1-8H3;1-36H;3-30H,1-2H3;9-28H,1-8H3
InChIKeyBQSVLLSSGYOOAN-UHFFFAOYSA-N
MW5448.07 g/mol
LogP113.33
Rot. Bonds57

About 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine

2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine (PubChem CID 157432752) has the molecular formula C382H291N21O5S6 and a molecular weight of 5448.07 g/mol. Its IUPAC name is 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine.

Molecular Properties

Compound Name2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine
PubChem CID157432752
Molecular FormulaC382H291N21O5S6
Molecular Weight5448.07 g/mol
Exact Mass5443.15
IUPAC Name2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cccc12.CC(C)Cc1ccc(N(c2cccc(C(C)C)c2)c2ccc3sc4c5cc(N(c6ccc(CC(C)C)cc6)c6cccc(C(C)C)c6)ccc5ccc4c3c2)cc1.Cc1cc(C)cc(N(c2ccc(C)c(C)c2)c2ccc3cc4oc5ccc(N(c6cc(C)cc(C)c6)c6ccc(C)c(C)c6)cc5c4cc3c2)c1.Cc1ccncc1N(c1ccc2ccccc2c1)c1ccc2cc3sc4ccc(N(c5ccc6ccccc6c5)c5cccnc5C)cc4c3cc2c1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4sc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c(N(c6ccccc6)c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc24)cc1.c1ccc(-c2nc(N(c3ccccc3)c3ccc4oc5c(N(c6ccccc6)c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c6ccccc6cc5c4c3)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H45N3S.C60H36N6OS2.C56H40N2O3.C54H56N2S.C52H36N2S.C48H34N4S.C48H44N2O/c1-7-21-46(22-8-1)48-25-19-35-54(41-48)66(52-31-15-5-16-32-52)57-38-40-63-59(43-57)61-45-62(67(53-33-17-6-18-34-53)55-36-20-26-49(42-55)47-23-9-2-10-24-47)58-39-37-56(44-60(58)64(61)68-63)65(50-27-11-3-12-28-50)51-29-13-4-14-30-51;1-5-19-37(20-6-1)51-57-53(44-29-15-17-31-49(44)68-57)63-59(61-51)65(40-24-9-3-10-25-40)42-33-34-48-46(36-42)47-35-39-23-13-14-28-43(39)55(56(47)67-48)66(41-26-11-4-12-27-41)60-62-52(38-21-7-2-8-22-38)58-54(64-60)45-30-16-18-32-50(45)69-58;1-56(2,3)44-30-16-27-41-42-29-18-32-46(54(42)61-52(41)44)57(35-19-6-4-7-20-35)50-38-24-10-11-25-39(38)51(55-49(50)43-26-13-15-34-48(43)60-55)58(36-21-8-5-9-22-36)45-31-17-28-40-37-23-12-14-33-47(37)59-53(40)45;1-35(2)29-39-15-21-44(22-16-39)55(46-13-9-11-42(31-46)37(5)6)48-25-19-41-20-27-50-52-34-49(26-28-53(52)57-54(50)51(41)33-48)56(47-14-10-12-43(32-47)38(7)8)45-23-17-40(18-24-45)30-36(3)4;1-5-17-37(18-6-1)45-25-13-15-27-49(45)53(41-21-9-3-10-22-41)43-30-29-39-34-48-47-32-31-44(36-52(47)55-51(48)35-40(39)33-43)54(42-23-11-4-12-24-42)50-28-16-14-26-46(50)38-19-7-2-8-20-38;1-31-21-23-49-30-46(31)52(40-17-14-34-9-4-6-11-36(34)25-40)41-18-15-37-28-48-43(27-38(37)26-41)44-29-42(19-20-47(44)53-48)51(45-12-7-22-50-32(45)2)39-16-13-33-8-3-5-10-35(33)24-39;1-29-17-30(2)20-43(19-29)49(39-12-9-33(5)35(7)23-39)41-14-11-37-27-48-45(26-38(37)25-41)46-28-42(15-16-47(46)51-48)50(40-13-10-34(6)36(8)24-40)44-21-31(3)18-32(4)22-44/h1-45H;1-36H;4-34H,1-3H3;9-28,31-38H,29-30H2,1-8H3;1-36H;3-30H,1-2H3;9-28H,1-8H3
InChIKeyBQSVLLSSGYOOAN-UHFFFAOYSA-N
XLogP113.33
TPSA191.64 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds57
Heavy Atoms414
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005448.07
LogP ≤ 5113.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine?
The IUPAC name of 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine (CID 157432752) is 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine.
What is the SMILES notation for 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine?
The canonical SMILES for 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4oc5ccccc5c34)cccc12.CC(C)Cc1ccc(N(c2cccc(C(C)C)c2)c2ccc3sc4c5cc(N(c6ccc(CC(C)C)cc6)c6cccc(C(C)C)c6)ccc5ccc4c3c2)cc1.Cc1cc(C)cc(N(c2ccc(C)c(C)c2)c2ccc3cc4oc5ccc(N(c6cc(C)cc(C)c6)c6ccc(C)c(C)c6)cc5c4cc3c2)c1.Cc1ccncc1N(c1ccc2ccccc2c1)c1ccc2cc3sc4ccc(N(c5ccc6ccccc6c5)c5cccnc5C)cc4c3cc2c1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4sc5c6cc(N(c7ccccc7)c7ccccc7)ccc6c(N(c6ccccc6)c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc24)cc1.c1ccc(-c2nc(N(c3ccccc3)c3ccc4oc5c(N(c6ccccc6)c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c6ccccc6cc5c4c3)nc3c2sc2ccccc23)cc1.
What is the InChIKey of 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine?
The InChIKey is BQSVLLSSGYOOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N3S.C60H36N6OS2.C56H40N2O3.C54H56N2S.C52H36N2S.C48H34N4S.C48H44N2O/c1-7-21-46(22-8-1)48-25-19-35-54(41-48)66(52-31-15-5-16-32-52)57-38-40-63-59(43-57)61-45-62(67(53-33-17-6-18-34-53)55-36-20-26-49(42-55)47-23-9-2-10-24-47)58-39-37-56(44-60(58)64(61)68-63)65(50-27-11-3-12-28-50)51-29-13-4-14-30-51;1-5-19-37(20-6-1)51-57-53(44-29-15-17-31-49(44)68-57)63-59(61-51)65(40-24-9-3-10-25-40)42-33-34-48-46(36-42)47-35-39-23-13-14-28-43(39)55(56(47)67-48)66(41-26-11-4-12-27-41)60-62-52(38-21-7-2-8-22-38)58-54(64-60)45-30-16-18-32-50(45)69-58;1-56(2,3)44-30-16-27-41-42-29-18-32-46(54(42)61-52(41)44)57(35-19-6-4-7-20-35)50-38-24-10-11-25-39(38)51(55-49(50)43-26-13-15-34-48(43)60-55)58(36-21-8-5-9-22-36)45-31-17-28-40-37-23-12-14-33-47(37)59-53(40)45;1-35(2)29-39-15-21-44(22-16-39)55(46-13-9-11-42(31-46)37(5)6)48-25-19-41-20-27-50-52-34-49(26-28-53(52)57-54(50)51(41)33-48)56(47-14-10-12-43(32-47)38(7)8)45-23-17-40(18-24-45)30-36(3)4;1-5-17-37(18-6-1)45-25-13-15-27-49(45)53(41-21-9-3-10-22-41)43-30-29-39-34-48-47-32-31-44(36-52(47)55-51(48)35-40(39)33-43)54(42-23-11-4-12-24-42)50-28-16-14-26-46(50)38-19-7-2-8-20-38;1-31-21-23-49-30-46(31)52(40-17-14-34-9-4-6-11-36(34)25-40)41-18-15-37-28-48-43(27-38(37)26-41)44-29-42(19-20-47(44)53-48)51(45-12-7-22-50-32(45)2)39-16-13-33-8-3-5-10-35(33)24-39;1-29-17-30(2)20-43(19-29)49(39-12-9-33(5)35(7)23-39)41-14-11-37-27-48-45(26-38(37)25-41)46-28-42(15-16-47(46)51-48)50(40-13-10-34(6)36(8)24-40)44-21-31(3)18-32(4)22-44/h1-45H;1-36H;4-34H,1-3H3;9-28,31-38H,29-30H2,1-8H3;1-36H;3-30H,1-2H3;9-28H,1-8H3.
What are the key properties of 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine?
2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine has a molecular weight of 5448.07 g/mol, XLogP of 113.33, 57 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine is sourced from PubChem (CID 157432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).