5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine

C198H148N6O9 — CID 161217386

IUPAC5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c3)cccc12
InChIInChI=1S/2C72H56N2O3.C54H36N2O3/c1-71(2,3)59-35-17-31-54-56-33-19-37-61(69(56)76-67(54)59)73(49-27-15-25-47(41-49)45-21-9-7-10-22-45)51-39-40-64-58(43-51)66-53-30-14-13-29-52(53)63(44-65(66)75-64)74(50-28-16-26-48(42-50)46-23-11-8-12-24-46)62-38-20-34-57-55-32-18-36-60(72(4,5)6)68(55)77-70(57)62;1-71(2,3)59-29-15-25-54-56-27-17-31-61(69(56)76-67(54)59)73(49-37-33-47(34-38-49)45-19-9-7-10-20-45)51-41-42-64-58(43-51)66-53-24-14-13-23-52(53)63(44-65(66)75-64)74(50-39-35-48(36-40-50)46-21-11-8-12-22-46)62-32-18-28-57-55-26-16-30-60(72(4,5)6)68(55)77-70(57)62;1-33-15-11-23-40-42-25-13-27-45(53(42)58-51(33)40)55(35-17-5-3-6-18-35)37-29-30-48-44(31-37)50-39-22-10-9-21-38(39)47(32-49(50)57-48)56(36-19-7-4-8-20-36)46-28-14-26-43-41-24-12-16-34(2)52(41)59-54(43)46/h2*7-44H,1-6H3;3-32H,1-2H3
InChIKeyUXAWFJNSVVKZSP-UHFFFAOYSA-N
MW2755.39 g/mol
LogP58.91
Rot. Bonds22

About 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine

5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine (PubChem CID 161217386) has the molecular formula C198H148N6O9 and a molecular weight of 2755.39 g/mol. Its IUPAC name is 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine.

Molecular Properties

Compound Name5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine
PubChem CID161217386
Molecular FormulaC198H148N6O9
Molecular Weight2755.39 g/mol
Exact Mass2753.13
IUPAC Name5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c3)cccc12
InChIInChI=1S/2C72H56N2O3.C54H36N2O3/c1-71(2,3)59-35-17-31-54-56-33-19-37-61(69(56)76-67(54)59)73(49-27-15-25-47(41-49)45-21-9-7-10-22-45)51-39-40-64-58(43-51)66-53-30-14-13-29-52(53)63(44-65(66)75-64)74(50-28-16-26-48(42-50)46-23-11-8-12-24-46)62-38-20-34-57-55-32-18-36-60(72(4,5)6)68(55)77-70(57)62;1-71(2,3)59-29-15-25-54-56-27-17-31-61(69(56)76-67(54)59)73(49-37-33-47(34-38-49)45-19-9-7-10-20-45)51-41-42-64-58(43-51)66-53-24-14-13-23-52(53)63(44-65(66)75-64)74(50-39-35-48(36-40-50)46-21-11-8-12-22-46)62-32-18-28-57-55-26-16-30-60(72(4,5)6)68(55)77-70(57)62;1-33-15-11-23-40-42-25-13-27-45(53(42)58-51(33)40)55(35-17-5-3-6-18-35)37-29-30-48-44(31-37)50-39-22-10-9-21-38(39)47(32-49(50)57-48)56(36-19-7-4-8-20-36)46-28-14-26-43-41-24-12-16-34(2)52(41)59-54(43)46/h2*7-44H,1-6H3;3-32H,1-2H3
InChIKeyUXAWFJNSVVKZSP-UHFFFAOYSA-N
XLogP58.91
TPSA137.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.39
LogP ≤ 558.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine with MolForge

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Related Compounds

5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 90262797
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 159471492
9-N,15-N-bis(6-methyldibenzofuran-4-yl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263298
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-phenyldibenzofuran-4-yl)-9-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 162223623
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;9-N,9-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 165041886
6-N,25-N-bis(6-tert-butyldibenzofuran-2-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360939
4-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159516615
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263285
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263290
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 90263039
6-tert-butyl-N-phenyl-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032213

Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine?
The IUPAC name of 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine (CID 161217386) is 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine.
What is the SMILES notation for 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine?
The canonical SMILES for 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c3)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c3)cccc12.
What is the InChIKey of 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine?
The InChIKey is UXAWFJNSVVKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H56N2O3.C54H36N2O3/c1-71(2,3)59-35-17-31-54-56-33-19-37-61(69(56)76-67(54)59)73(49-27-15-25-47(41-49)45-21-9-7-10-22-45)51-39-40-64-58(43-51)66-53-30-14-13-29-52(53)63(44-65(66)75-64)74(50-28-16-26-48(42-50)46-23-11-8-12-24-46)62-38-20-34-57-55-32-18-36-60(72(4,5)6)68(55)77-70(57)62;1-71(2,3)59-29-15-25-54-56-27-17-31-61(69(56)76-67(54)59)73(49-37-33-47(34-38-49)45-19-9-7-10-20-45)51-41-42-64-58(43-51)66-53-24-14-13-23-52(53)63(44-65(66)75-64)74(50-39-35-48(36-40-50)46-21-11-8-12-22-46)62-32-18-28-57-55-26-16-30-60(72(4,5)6)68(55)77-70(57)62;1-33-15-11-23-40-42-25-13-27-45(53(42)58-51(33)40)55(35-17-5-3-6-18-35)37-29-30-48-44(31-37)50-39-22-10-9-21-38(39)47(32-49(50)57-48)56(36-19-7-4-8-20-36)46-28-14-26-43-41-24-12-16-34(2)52(41)59-54(43)46/h2*7-44H,1-6H3;3-32H,1-2H3.
What are the key properties of 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine?
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine has a molecular weight of 2755.39 g/mol, XLogP of 58.91, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine is sourced from PubChem (CID 161217386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).