6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

C298H266N6 — CID 158900860

IUPAC6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5cc(C)cc(C)c5)c5ccc2c3c54)c1.Cc1ccc(N(c2ccc3c(c2)CCCC3)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc5c(c4)CCCC5)cc3c3ccccc23)cc1C.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C60H62N2.C56H58.C54H50N2.C48H42.C40H28N2.C40H26/c1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46;1-53(2,3)39-21-13-35(14-22-39)47-33-48(36-15-23-40(24-16-36)54(4,5)6)44-31-32-46-50(38-19-27-42(28-20-38)56(10,11)12)34-49(45-30-29-43(47)51(44)52(45)46)37-17-25-41(26-18-37)55(7,8)9;1-35-21-25-43(29-37(35)3)55(45-27-23-39-13-5-7-15-41(39)31-45)53-33-51-48-18-10-12-20-50(48)54(34-52(51)47-17-9-11-19-49(47)53)56(44-26-22-36(2)38(4)30-44)46-28-24-40-14-6-8-16-42(40)32-46;1-27-13-28(2)18-35(17-27)43-25-44(36-19-29(3)14-30(4)20-36)40-11-12-42-46(38-23-33(7)16-34(8)24-38)26-45(37-21-31(5)15-32(6)22-37)41-10-9-39(43)47(40)48(41)42;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h11-14,19-42,45-46H,5-10,15-18H2,1-4H3;13-34H,1-12H3;9-12,17-34H,5-8,13-16H2,1-4H3;9-26H,1-8H3;1-28H;1-26H
InChIKeyJFKRHYHQDNITSJ-UHFFFAOYSA-N
MW3931.45 g/mol
LogP86.44
Rot. Bonds34

About 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (PubChem CID 158900860) has the molecular formula C298H266N6 and a molecular weight of 3931.45 g/mol. Its IUPAC name is 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
PubChem CID158900860
Molecular FormulaC298H266N6
Molecular Weight3931.45 g/mol
Exact Mass3928.10
IUPAC Name6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5cc(C)cc(C)c5)c5ccc2c3c54)c1.Cc1ccc(N(c2ccc3c(c2)CCCC3)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc5c(c4)CCCC5)cc3c3ccccc23)cc1C.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C60H62N2.C56H58.C54H50N2.C48H42.C40H28N2.C40H26/c1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46;1-53(2,3)39-21-13-35(14-22-39)47-33-48(36-15-23-40(24-16-36)54(4,5)6)44-31-32-46-50(38-19-27-42(28-20-38)56(10,11)12)34-49(45-30-29-43(47)51(44)52(45)46)37-17-25-41(26-18-37)55(7,8)9;1-35-21-25-43(29-37(35)3)55(45-27-23-39-13-5-7-15-41(39)31-45)53-33-51-48-18-10-12-20-50(48)54(34-52(51)47-17-9-11-19-49(47)53)56(44-26-22-36(2)38(4)30-44)46-28-24-40-14-6-8-16-42(40)32-46;1-27-13-28(2)18-35(17-27)43-25-44(36-19-29(3)14-30(4)20-36)40-11-12-42-46(38-23-33(7)16-34(8)24-38)26-45(37-21-31(5)15-32(6)22-37)41-10-9-39(43)47(40)48(41)42;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h11-14,19-42,45-46H,5-10,15-18H2,1-4H3;13-34H,1-12H3;9-12,17-34H,5-8,13-16H2,1-4H3;9-26H,1-8H3;1-28H;1-26H
InChIKeyJFKRHYHQDNITSJ-UHFFFAOYSA-N
XLogP86.44
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms304
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003931.45
LogP ≤ 586.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine with MolForge

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Related Compounds

1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158240159
2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 158150656
6-N,12-N-bis(4-cyclohexylphenyl)-2,8-dimethyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159540355
6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,5-dimethylphenyl)chrysene-6,12-diamine;2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(4-methylphenyl)-2-(4-propylcyclohexyl)chrysene-6,12-diamine
CID 158210777
2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine)
CID 157096228
2-cyclohexyl-6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine
CID 59793136
CID 160713603
CID 160713603
6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)-3,9-di(propan-2-yl)chrysene-6,12-diamine
CID 59793019
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159967041
13-N,28-N-bis(4-tert-butylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-cyclohexylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N-(4-tert-butylphenyl)-13-N,28-N,28-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 167630028
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-cyclohexylphenyl)-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3,4-dimethylphenyl)-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3,5-dimethylphenyl)-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-propan-2-ylphenyl)-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 158386365
5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 162047549

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The IUPAC name of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (CID 158900860) is 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.
What is the SMILES notation for 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The canonical SMILES for 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)cc1.CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5cc(C)cc(C)c5)c5ccc2c3c54)c1.Cc1ccc(N(c2ccc3c(c2)CCCC3)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc5c(c4)CCCC5)cc3c3ccccc23)cc1C.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The InChIKey is JFKRHYHQDNITSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N2.C56H58.C54H50N2.C48H42.C40H28N2.C40H26/c1-41(2)43-23-31-49(32-24-43)61(51-35-27-47(28-36-51)45-15-7-5-8-16-45)59-39-57-54-20-12-14-22-56(54)60(40-58(57)53-19-11-13-21-55(53)59)62(50-33-25-44(26-34-50)42(3)4)52-37-29-48(30-38-52)46-17-9-6-10-18-46;1-53(2,3)39-21-13-35(14-22-39)47-33-48(36-15-23-40(24-16-36)54(4,5)6)44-31-32-46-50(38-19-27-42(28-20-38)56(10,11)12)34-49(45-30-29-43(47)51(44)52(45)46)37-17-25-41(26-18-37)55(7,8)9;1-35-21-25-43(29-37(35)3)55(45-27-23-39-13-5-7-15-41(39)31-45)53-33-51-48-18-10-12-20-50(48)54(34-52(51)47-17-9-11-19-49(47)53)56(44-26-22-36(2)38(4)30-44)46-28-24-40-14-6-8-16-42(40)32-46;1-27-13-28(2)18-35(17-27)43-25-44(36-19-29(3)14-30(4)20-36)40-11-12-42-46(38-23-33(7)16-34(8)24-38)26-45(37-21-31(5)15-32(6)22-37)41-10-9-39(43)47(40)48(41)42;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h11-14,19-42,45-46H,5-10,15-18H2,1-4H3;13-34H,1-12H3;9-12,17-34H,5-8,13-16H2,1-4H3;9-26H,1-8H3;1-28H;1-26H.
What are the key properties of 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine has a molecular weight of 3931.45 g/mol, XLogP of 86.44, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is sourced from PubChem (CID 158900860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).