9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C104H83N7O8 — CID 171729860

IUPAC9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(-n7c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8c8cc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)ccc87)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C104H83N7O8/c1-112-85-39-19-71(20-40-85)106(72-21-41-86(113-2)42-22-72)81-35-57-101-95(63-81)96-64-82(107(73-23-43-87(114-3)44-24-73)74-25-45-88(115-4)46-26-74)36-58-102(96)110(101)79-15-9-67(10-16-79)69-13-55-99-93(61-69)94-62-70(14-56-100(94)105-99)68-11-17-80(18-12-68)111-103-59-37-83(108(75-27-47-89(116-5)48-28-75)76-29-49-90(117-6)50-30-76)65-97(103)98-66-84(38-60-104(98)111)109(77-31-51-91(118-7)52-32-77)78-33-53-92(119-8)54-34-78/h9-66,105H,1-8H3
InChIKeyCJPXHXIOMFOKEW-UHFFFAOYSA-N
MW1558.85 g/mol
LogP26.80
Rot. Bonds24

About 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 171729860) has the molecular formula C104H83N7O8 and a molecular weight of 1558.85 g/mol. Its IUPAC name is 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID171729860
Molecular FormulaC104H83N7O8
Molecular Weight1558.85 g/mol
Exact Mass1557.63
IUPAC Name9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(-n7c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8c8cc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)ccc87)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C104H83N7O8/c1-112-85-39-19-71(20-40-85)106(72-21-41-86(113-2)42-22-72)81-35-57-101-95(63-81)96-64-82(107(73-23-43-87(114-3)44-24-73)74-25-45-88(115-4)46-26-74)36-58-102(96)110(101)79-15-9-67(10-16-79)69-13-55-99-93(61-69)94-62-70(14-56-100(94)105-99)68-11-17-80(18-12-68)111-103-59-37-83(108(75-27-47-89(116-5)48-28-75)76-29-49-90(117-6)50-30-76)65-97(103)98-66-84(38-60-104(98)111)109(77-31-51-91(118-7)52-32-77)78-33-53-92(119-8)54-34-78/h9-66,105H,1-8H3
InChIKeyCJPXHXIOMFOKEW-UHFFFAOYSA-N
XLogP26.80
TPSA112.45 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.85
LogP ≤ 526.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine with MolForge

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Related Compounds

N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573043
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 171729860) is 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccc(-c6ccc(-n7c8ccc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)cc8c8cc(N(c9ccc(OC)cc9)c9ccc(OC)cc9)ccc87)cc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is CJPXHXIOMFOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H83N7O8/c1-112-85-39-19-71(20-40-85)106(72-21-41-86(113-2)42-22-72)81-35-57-101-95(63-81)96-64-82(107(73-23-43-87(114-3)44-24-73)74-25-45-88(115-4)46-26-74)36-58-102(96)110(101)79-15-9-67(10-16-79)69-13-55-99-93(61-69)94-62-70(14-56-100(94)105-99)68-11-17-80(18-12-68)111-103-59-37-83(108(75-27-47-89(116-5)48-28-75)76-29-49-90(117-6)50-30-76)65-97(103)98-66-84(38-60-104(98)111)109(77-31-51-91(118-7)52-32-77)78-33-53-92(119-8)54-34-78/h9-66,105H,1-8H3.
What are the key properties of 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1558.85 g/mol, XLogP of 26.80, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 171729860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).