6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine

C79H57N5 — CID 163478963

IUPAC6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
SMILESCC1C=C(n2c3ccc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)ccc32)C=CC1
InChIInChI=1S/C79H57N5/c1-54-21-20-34-65(47-54)84-76-43-37-55(57-35-41-74-70(50-57)72-52-66(39-45-78(72)82(74)63-30-16-6-17-31-63)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)48-68(76)69-49-56(38-44-77(69)84)58-36-42-75-71(51-58)73-53-67(40-46-79(73)83(75)64-32-18-7-19-33-64)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62/h2-20,22-54H,21H2,1H3
InChIKeyCCWOZGLYOMWFSE-UHFFFAOYSA-N
MW1076.36 g/mol
LogP21.70
Rot. Bonds11

About 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine

6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine (PubChem CID 163478963) has the molecular formula C79H57N5 and a molecular weight of 1076.36 g/mol. Its IUPAC name is 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound Name6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
PubChem CID163478963
Molecular FormulaC79H57N5
Molecular Weight1076.36 g/mol
Exact Mass1075.46
IUPAC Name6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
SMILESCC1C=C(n2c3ccc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)ccc32)C=CC1
InChIInChI=1S/C79H57N5/c1-54-21-20-34-65(47-54)84-76-43-37-55(57-35-41-74-70(50-57)72-52-66(39-45-78(72)82(74)63-30-16-6-17-31-63)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)48-68(76)69-49-56(38-44-77(69)84)58-36-42-75-71(51-58)73-53-67(40-46-79(73)83(75)64-32-18-7-19-33-64)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62/h2-20,22-54H,21H2,1H3
InChIKeyCCWOZGLYOMWFSE-UHFFFAOYSA-N
XLogP21.70
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.36
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine with MolForge

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Related Compounds

N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 163878672
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
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-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252

Frequently Asked Questions

What is the IUPAC name of 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine?
The IUPAC name of 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine (CID 163478963) is 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine.
What is the SMILES notation for 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine?
The canonical SMILES for 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine is CC1C=C(n2c3ccc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4ccccc4)ccc32)C=CC1.
What is the InChIKey of 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine?
The InChIKey is CCWOZGLYOMWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H57N5/c1-54-21-20-34-65(47-54)84-76-43-37-55(57-35-41-74-70(50-57)72-52-66(39-45-78(72)82(74)63-30-16-6-17-31-63)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)48-68(76)69-49-56(38-44-77(69)84)58-36-42-75-71(51-58)73-53-67(40-46-79(73)83(75)64-32-18-7-19-33-64)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62/h2-20,22-54H,21H2,1H3.
What are the key properties of 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine?
6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine has a molecular weight of 1076.36 g/mol, XLogP of 21.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 163478963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).