3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine

C285H227N19 — CID 158466530

IUPAC3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC)(CC)C5CCCCC65)ccc3n4-c3ccccc3)cc21.CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21.CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C64H61N3.C58H45N5.C57H48N4.C54H36N4.C52H37N3/c1-5-63(6-2)57-30-20-18-28-51(57)53-36-32-49(42-59(53)63)65(44-22-12-9-13-23-44)47-34-38-61-55(40-47)56-41-48(35-39-62(56)67(61)46-26-16-11-17-27-46)66(45-24-14-10-15-25-45)50-33-37-54-52-29-19-21-31-58(52)64(7-3,8-4)60(54)43-50;1-3-59-53-26-16-14-24-47(53)49-36-43(28-32-55(49)59)61(40-18-8-5-9-19-40)45-30-34-57-51(38-45)52-39-46(31-35-58(52)63(57)42-22-12-7-13-23-42)62(41-20-10-6-11-21-41)44-29-33-56-50(37-44)48-25-15-17-27-54(48)60(56)4-2;1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-2-53-47-31-27-41(54(39-17-5-3-6-18-39)49-22-12-14-35-13-9-10-21-43(35)49)33-45(47)46-34-42(28-32-48(46)53)55(40-19-7-4-8-20-40)50-30-26-38-24-23-36-15-11-16-37-25-29-44(50)52(38)51(36)37/h9-18,20,22-28,30,32-43,52,58H,5-8,19,21,29,31H2,1-4H3;5-39H,3-4H2,1-2H3;4-42H,1-3H3;1-36H;3-34H,2H2,1H3
InChIKeyHFUYBXMVKSWKMB-UHFFFAOYSA-N
MW3918.08 g/mol
LogP79.88
Rot. Bonds45

About 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine

3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 158466530) has the molecular formula C285H227N19 and a molecular weight of 3918.08 g/mol. Its IUPAC name is 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID158466530
Molecular FormulaC285H227N19
Molecular Weight3918.08 g/mol
Exact Mass3914.83
IUPAC Name3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC)(CC)C5CCCCC65)ccc3n4-c3ccccc3)cc21.CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21.CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C64H61N3.C58H45N5.C57H48N4.C54H36N4.C52H37N3/c1-5-63(6-2)57-30-20-18-28-51(57)53-36-32-49(42-59(53)63)65(44-22-12-9-13-23-44)47-34-38-61-55(40-47)56-41-48(35-39-62(56)67(61)46-26-16-11-17-27-46)66(45-24-14-10-15-25-45)50-33-37-54-52-29-19-21-31-58(52)64(7-3,8-4)60(54)43-50;1-3-59-53-26-16-14-24-47(53)49-36-43(28-32-55(49)59)61(40-18-8-5-9-19-40)45-30-34-57-51(38-45)52-39-46(31-35-58(52)63(57)42-22-12-7-13-23-42)62(41-20-10-6-11-21-41)44-29-33-56-50(37-44)48-25-15-17-27-54(48)60(56)4-2;1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-2-53-47-31-27-41(54(39-17-5-3-6-18-39)49-22-12-14-35-13-9-10-21-43(35)49)33-45(47)46-34-42(28-32-48(46)53)55(40-19-7-4-8-20-40)50-30-26-38-24-23-36-15-11-16-37-25-29-44(50)52(38)51(36)37/h9-18,20,22-28,30,32-43,52,58H,5-8,19,21,29,31H2,1-4H3;5-39H,3-4H2,1-2H3;4-42H,1-3H3;1-36H;3-34H,2H2,1H3
InChIKeyHFUYBXMVKSWKMB-UHFFFAOYSA-N
XLogP79.88
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003918.08
LogP ≤ 579.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

9-(9,9-diethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine
CID 101142979
9-ethyl-3-N-[5-[2-methyl-4-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 134387493
9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 130271558
N-naphthalen-1-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158680730
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-pyren-1-ylcarbazol-3-amine
CID 58384057
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 158479839

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine (CID 158466530) is 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC)(CC)C5CCCCC65)ccc3n4-c3ccccc3)cc21.CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)ccc21.CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21.Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is HFUYBXMVKSWKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N3.C58H45N5.C57H48N4.C54H36N4.C52H37N3/c1-5-63(6-2)57-30-20-18-28-51(57)53-36-32-49(42-59(53)63)65(44-22-12-9-13-23-44)47-34-38-61-55(40-47)56-41-48(35-39-62(56)67(61)46-26-16-11-17-27-46)66(45-24-14-10-15-25-45)50-33-37-54-52-29-19-21-31-58(52)64(7-3,8-4)60(54)43-50;1-3-59-53-26-16-14-24-47(53)49-36-43(28-32-55(49)59)61(40-18-8-5-9-19-40)45-30-34-57-51(38-45)52-39-46(31-35-58(52)63(57)42-22-12-7-13-23-42)62(41-20-10-6-11-21-41)44-29-33-56-50(37-44)48-25-15-17-27-54(48)60(56)4-2;1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-2-53-47-31-27-41(54(39-17-5-3-6-18-39)49-22-12-14-35-13-9-10-21-43(35)49)33-45(47)46-34-42(28-32-48(46)53)55(40-19-7-4-8-20-40)50-30-26-38-24-23-36-15-11-16-37-25-29-44(50)52(38)51(36)37/h9-18,20,22-28,30,32-43,52,58H,5-8,19,21,29,31H2,1-4H3;5-39H,3-4H2,1-2H3;4-42H,1-3H3;1-36H;3-34H,2H2,1H3.
What are the key properties of 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 3918.08 g/mol, XLogP of 79.88, 45 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(9-ethylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;3-N-(9,9-diethyl-4b,5,6,7,8,8a-hexahydrofluoren-2-yl)-6-N-(9,9-diethylfluoren-2-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine;9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 158466530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).