9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C78H62N6 — CID 168736678

IUPAC9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCC1C(C)C(n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)C1n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C78H62N6/c1-55-56(2)78(84-75-49-45-67(81(61-35-19-7-20-36-61)62-37-21-8-22-38-62)53-71(75)72-54-68(46-50-76(72)84)82(63-39-23-9-24-40-63)64-41-25-10-26-42-64)77(55)83-73-47-43-65(79(57-27-11-3-12-28-57)58-29-13-4-14-30-58)51-69(73)70-52-66(44-48-74(70)83)80(59-31-15-5-16-32-59)60-33-17-6-18-34-60/h3-56,77-78H,1-2H3
InChIKeyMFSSIESFWUMCAG-UHFFFAOYSA-N
MW1083.40 g/mol
LogP21.85
Rot. Bonds14

About 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 168736678) has the molecular formula C78H62N6 and a molecular weight of 1083.40 g/mol. Its IUPAC name is 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID168736678
Molecular FormulaC78H62N6
Molecular Weight1083.40 g/mol
Exact Mass1082.50
IUPAC Name9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESCC1C(C)C(n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)C1n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C78H62N6/c1-55-56(2)78(84-75-49-45-67(81(61-35-19-7-20-36-61)62-37-21-8-22-38-62)53-71(75)72-54-68(46-50-76(72)84)82(63-39-23-9-24-40-63)64-41-25-10-26-42-64)77(55)83-73-47-43-65(79(57-27-11-3-12-28-57)58-29-13-4-14-30-58)51-69(73)70-52-66(44-48-74(70)83)80(59-31-15-5-16-32-59)60-33-17-6-18-34-60/h3-56,77-78H,1-2H3
InChIKeyMFSSIESFWUMCAG-UHFFFAOYSA-N
XLogP21.85
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.40
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine with MolForge

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Related Compounds

9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
CID 168736679
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,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
CID 142539039
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 168736678) is 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is CC1C(C)C(n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)C1n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is MFSSIESFWUMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N6/c1-55-56(2)78(84-75-49-45-67(81(61-35-19-7-20-36-61)62-37-21-8-22-38-62)53-71(75)72-54-68(46-50-76(72)84)82(63-39-23-9-24-40-63)64-41-25-10-26-42-64)77(55)83-73-47-43-65(79(57-27-11-3-12-28-57)58-29-13-4-14-30-58)51-69(73)70-52-66(44-48-74(70)83)80(59-31-15-5-16-32-59)60-33-17-6-18-34-60/h3-56,77-78H,1-2H3.
What are the key properties of 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 1083.40 g/mol, XLogP of 21.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 168736678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).