1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine

C315H228F3N17 — CID 160787603

IUPAC1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccc(C#N)cc2)c2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4ccc(C#N)cc4)c4ccc1c2c43.CC1(C)c2cc(C#N)ccc2N(c2ccc3ccc4c(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)C1c1ccccc1.Cc1cc(C)cc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N5CC(C)(C)c6cc(C#N)ccc65)ccc5ccc2c3c54)c1.Cc1cc(N(c2ccccc2)c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccccc4)c4ccc1c2c34.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43.c1ccc(N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C64H42F2N2.C60H40N2.C57H40FN3.C50H42N4.C42H32N4.C42H32N2/c65-57-41-49(43-19-7-1-8-20-43)39-55(45-23-11-3-12-24-45)63(57)67(51-27-15-5-16-28-51)59-37-33-47-32-36-54-60(38-34-48-31-35-53(59)61(47)62(48)54)68(52-29-17-6-18-30-52)64-56(46-25-13-4-14-26-46)40-50(42-58(64)66)44-21-9-2-10-22-44;1-3-17-47(18-4-1)61(57-23-11-15-41-13-7-9-21-53(41)57)49-33-25-43(26-34-49)51-37-29-45-32-40-56-52(38-30-46-31-39-55(51)59(45)60(46)56)44-27-35-50(36-28-44)62(48-19-5-2-6-20-48)58-24-12-16-42-14-8-10-22-54(42)58;1-57(2)48-33-37(36-59)23-30-52(48)61(56(57)42-19-11-5-12-20-42)51-32-27-41-24-28-45-50(31-26-40-25-29-46(51)54(41)53(40)45)60(44-21-13-6-14-22-44)55-47(39-17-9-4-10-18-39)34-43(35-49(55)58)38-15-7-3-8-16-38;1-49(2,3)43-29-45(53(35-13-9-7-10-14-35)37-21-17-33(31-51)18-22-37)41-28-26-40-44(50(4,5)6)30-46(42-27-25-39(43)47(41)48(40)42)54(36-15-11-8-12-16-36)38-23-19-34(32-52)20-24-38;1-26-18-27(2)20-33(19-26)46(32-7-5-6-28(21-32)23-43)38-17-12-31-9-13-34-37(16-11-30-10-14-35(38)41(31)40(30)34)45-25-42(3,4)36-22-29(24-44)8-15-39(36)45;1-29-27-39(43(31-15-7-3-8-16-31)32-17-9-4-10-18-32)37-26-24-36-30(2)28-40(38-25-23-35(29)41(37)42(36)38)44(33-19-11-5-12-20-33)34-21-13-6-14-22-34/h1-42H;1-40H;3-35,56H,1-2H3;7-30H,1-6H3;5-22H,25H2,1-4H3;3-28H,1-2H3
InChIKeySBKJUNCXDHZKDO-UHFFFAOYSA-N
MW4308.40 g/mol
LogP88.05
Rot. Bonds41

About 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine

1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 160787603) has the molecular formula C315H228F3N17 and a molecular weight of 4308.40 g/mol. Its IUPAC name is 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID160787603
Molecular FormulaC315H228F3N17
Molecular Weight4308.40 g/mol
Exact Mass4304.83
IUPAC Name1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccc(C#N)cc2)c2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4ccc(C#N)cc4)c4ccc1c2c43.CC1(C)c2cc(C#N)ccc2N(c2ccc3ccc4c(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)C1c1ccccc1.Cc1cc(C)cc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N5CC(C)(C)c6cc(C#N)ccc65)ccc5ccc2c3c54)c1.Cc1cc(N(c2ccccc2)c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccccc4)c4ccc1c2c34.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43.c1ccc(N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C64H42F2N2.C60H40N2.C57H40FN3.C50H42N4.C42H32N4.C42H32N2/c65-57-41-49(43-19-7-1-8-20-43)39-55(45-23-11-3-12-24-45)63(57)67(51-27-15-5-16-28-51)59-37-33-47-32-36-54-60(38-34-48-31-35-53(59)61(47)62(48)54)68(52-29-17-6-18-30-52)64-56(46-25-13-4-14-26-46)40-50(42-58(64)66)44-21-9-2-10-22-44;1-3-17-47(18-4-1)61(57-23-11-15-41-13-7-9-21-53(41)57)49-33-25-43(26-34-49)51-37-29-45-32-40-56-52(38-30-46-31-39-55(51)59(45)60(46)56)44-27-35-50(36-28-44)62(48-19-5-2-6-20-48)58-24-12-16-42-14-8-10-22-54(42)58;1-57(2)48-33-37(36-59)23-30-52(48)61(56(57)42-19-11-5-12-20-42)51-32-27-41-24-28-45-50(31-26-40-25-29-46(51)54(41)53(40)45)60(44-21-13-6-14-22-44)55-47(39-17-9-4-10-18-39)34-43(35-49(55)58)38-15-7-3-8-16-38;1-49(2,3)43-29-45(53(35-13-9-7-10-14-35)37-21-17-33(31-51)18-22-37)41-28-26-40-44(50(4,5)6)30-46(42-27-25-39(43)47(41)48(40)42)54(36-15-11-8-12-16-36)38-23-19-34(32-52)20-24-38;1-26-18-27(2)20-33(19-26)46(32-7-5-6-28(21-32)23-43)38-17-12-31-9-13-34-37(16-11-30-10-14-35(38)41(31)40(30)34)45-25-42(3,4)36-22-29(24-44)8-15-39(36)45;1-29-27-39(43(31-15-7-3-8-16-31)32-17-9-4-10-18-32)37-26-24-36-30(2)28-40(38-25-23-35(29)41(37)42(36)38)44(33-19-11-5-12-20-33)34-21-13-6-14-22-34/h1-42H;1-40H;3-35,56H,1-2H3;7-30H,1-6H3;5-22H,25H2,1-4H3;3-28H,1-2H3
InChIKeySBKJUNCXDHZKDO-UHFFFAOYSA-N
XLogP88.05
TPSA157.83 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds41
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004308.40
LogP ≤ 588.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

3,3-dimethyl-2-phenyl-1-[6-(N-phenylanilino)pyren-1-yl]-2H-indole-5-carbonitrile
CID 90054766
3-[N-[6-(N-[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-3-cyanoanilino)pyren-1-yl]-2,4-bis(4-tert-butylphenyl)-6-fluoroanilino]benzonitrile
CID 59358046
3,3-dimethyl-2-phenyl-1-[6-(N-pyridin-2-ylanilino)pyren-1-yl]-2H-indole-5-carbonitrile
CID 90054763
4-(N-[6-(5-isocyano-3,3-dimethyl-2H-indol-1-yl)pyren-1-yl]-3,5-dimethylanilino)benzonitrile
CID 153465934
4-[N-[6-(4-cyano-N-[2-fluoro-4,6-bis(3-methylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(3-methylphenyl)anilino]benzonitrile
CID 89056821
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 59357909
6-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
CID 90054753
4-[N-[6-(4-cyano-N-[2,4-difluoro-6-(4-phenylphenyl)phenyl]anilino)pyren-1-yl]-2,4-difluoro-6-(4-phenylphenyl)anilino]benzonitrile
CID 88985251
1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 158390523
3,8-ditert-butyl-1-N,6-N-diphenyl-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis[2-(4-phenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;4-(N-[6-(4-isocyano-N-(2-phenylphenyl)anilino)pyren-1-yl]-2-phenylanilino)benzonitrile
CID 159953318
4-[N-[6-(4-cyano-N-[2,4-difluoro-6-(4-methylphenyl)phenyl]anilino)pyren-1-yl]-2,4-difluoro-6-(4-methylphenyl)anilino]benzonitrile
CID 88985122
6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine
CID 159788341

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 160787603) is 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine is CC(C)(C)c1cc(N(c2ccccc2)c2ccc(C#N)cc2)c2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4ccc(C#N)cc4)c4ccc1c2c43.CC1(C)c2cc(C#N)ccc2N(c2ccc3ccc4c(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc5ccc2c3c54)C1c1ccccc1.Cc1cc(C)cc(N(c2cccc(C#N)c2)c2ccc3ccc4c(N5CC(C)(C)c6cc(C#N)ccc65)ccc5ccc2c3c54)c1.Cc1cc(N(c2ccccc2)c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccccc4)c4ccc1c2c34.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43.c1ccc(N(c2ccc(-c3ccc4ccc5c(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)ccc6ccc3c4c65)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is SBKJUNCXDHZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42F2N2.C60H40N2.C57H40FN3.C50H42N4.C42H32N4.C42H32N2/c65-57-41-49(43-19-7-1-8-20-43)39-55(45-23-11-3-12-24-45)63(57)67(51-27-15-5-16-28-51)59-37-33-47-32-36-54-60(38-34-48-31-35-53(59)61(47)62(48)54)68(52-29-17-6-18-30-52)64-56(46-25-13-4-14-26-46)40-50(42-58(64)66)44-21-9-2-10-22-44;1-3-17-47(18-4-1)61(57-23-11-15-41-13-7-9-21-53(41)57)49-33-25-43(26-34-49)51-37-29-45-32-40-56-52(38-30-46-31-39-55(51)59(45)60(46)56)44-27-35-50(36-28-44)62(48-19-5-2-6-20-48)58-24-12-16-42-14-8-10-22-54(42)58;1-57(2)48-33-37(36-59)23-30-52(48)61(56(57)42-19-11-5-12-20-42)51-32-27-41-24-28-45-50(31-26-40-25-29-46(51)54(41)53(40)45)60(44-21-13-6-14-22-44)55-47(39-17-9-4-10-18-39)34-43(35-49(55)58)38-15-7-3-8-16-38;1-49(2,3)43-29-45(53(35-13-9-7-10-14-35)37-21-17-33(31-51)18-22-37)41-28-26-40-44(50(4,5)6)30-46(42-27-25-39(43)47(41)48(40)42)54(36-15-11-8-12-16-36)38-23-19-34(32-52)20-24-38;1-26-18-27(2)20-33(19-26)46(32-7-5-6-28(21-32)23-43)38-17-12-31-9-13-34-37(16-11-30-10-14-35(38)41(31)40(30)34)45-25-42(3,4)36-22-29(24-44)8-15-39(36)45;1-29-27-39(43(31-15-7-3-8-16-31)32-17-9-4-10-18-32)37-26-24-36-30(2)28-40(38-25-23-35(29)41(37)42(36)38)44(33-19-11-5-12-20-33)34-21-13-6-14-22-34/h1-42H;1-40H;3-35,56H,1-2H3;7-30H,1-6H3;5-22H,25H2,1-4H3;3-28H,1-2H3.
What are the key properties of 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 4308.40 g/mol, XLogP of 88.05, 41 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-[6-(3-cyano-N-(3,5-dimethylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2H-indole-5-carbonitrile;4-(N-[3,8-ditert-butyl-6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile;3,8-dimethyl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;1-[6-(N-(2-fluoro-4,6-diphenylphenyl)anilino)pyren-1-yl]-3,3-dimethyl-2-phenyl-2H-indole-5-carbonitrile;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 160787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).