[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone

C79H56N6O — CID 121447619

IUPAC[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccc(Nc4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1)c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C79H56N6O/c86-79(56-36-41-66(42-37-56)84-75-48-40-59(80-58-22-8-1-9-23-58)52-71(75)72-53-68(45-49-76(72)84)81(60-24-10-2-11-25-60)61-26-12-3-13-27-61)57-38-43-67(44-39-57)85-77-50-46-69(82(62-28-14-4-15-29-62)63-30-16-5-17-31-63)54-73(77)74-55-70(47-51-78(74)85)83(64-32-18-6-19-33-64)65-34-20-7-21-35-65/h1-55,80H
InChIKeyGRVOPMSGCBWEHO-UHFFFAOYSA-N
MW1105.36 g/mol
LogP21.26
Rot. Bonds15

About [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone

[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone (PubChem CID 121447619) has the molecular formula C79H56N6O and a molecular weight of 1105.36 g/mol. Its IUPAC name is [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone
PubChem CID121447619
Molecular FormulaC79H56N6O
Molecular Weight1105.36 g/mol
Exact Mass1104.45
IUPAC Name[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccc(Nc4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1)c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C79H56N6O/c86-79(56-36-41-66(42-37-56)84-75-48-40-59(80-58-22-8-1-9-23-58)52-71(75)72-53-68(45-49-76(72)84)81(60-24-10-2-11-25-60)61-26-12-3-13-27-61)57-38-43-67(44-39-57)85-77-50-46-69(82(62-28-14-4-15-29-62)63-30-16-5-17-31-63)54-73(77)74-55-70(47-51-78(74)85)83(64-32-18-6-19-33-64)65-34-20-7-21-35-65/h1-55,80H
InChIKeyGRVOPMSGCBWEHO-UHFFFAOYSA-N
XLogP21.26
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.36
LogP ≤ 521.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone with MolForge

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Related Compounds

methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
CID 121256430
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269
methyl 4-[3-[N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]benzoate
CID 126595688
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
6-methyl-N,9-diphenylcarbazol-3-amine
CID 58807692

Frequently Asked Questions

What is the IUPAC name of [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The IUPAC name of [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone (CID 121447619) is [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone.
What is the SMILES notation for [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The canonical SMILES for [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone is O=C(c1ccc(-n2c3ccc(Nc4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1)c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The InChIKey is GRVOPMSGCBWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N6O/c86-79(56-36-41-66(42-37-56)84-75-48-40-59(80-58-22-8-1-9-23-58)52-71(75)72-53-68(45-49-76(72)84)81(60-24-10-2-11-25-60)61-26-12-3-13-27-61)57-38-43-67(44-39-57)85-77-50-46-69(82(62-28-14-4-15-29-62)63-30-16-5-17-31-63)54-73(77)74-55-70(47-51-78(74)85)83(64-32-18-6-19-33-64)65-34-20-7-21-35-65/h1-55,80H.
What are the key properties of [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone has a molecular weight of 1105.36 g/mol, XLogP of 21.26, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone is sourced from PubChem (CID 121447619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).