1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine

C55H42N4 — CID 91287445

IUPAC1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESCC1CC=Cc2c1c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C55H42N4/c1-39-17-16-28-54-55(39)50-38-47(34-36-53(50)59(54)43-24-12-5-13-25-43)57(41-20-8-3-9-21-41)45-31-29-44(30-32-45)56(40-18-6-2-7-19-40)46-33-35-52-49(37-46)48-26-14-15-27-51(48)58(52)42-22-10-4-11-23-42/h2-16,18-39H,17H2,1H3
InChIKeyBCWBTXHWLPYPRO-UHFFFAOYSA-N
MW758.97 g/mol
LogP15.19
Rot. Bonds8

About 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine

1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine (PubChem CID 91287445) has the molecular formula C55H42N4 and a molecular weight of 758.97 g/mol. Its IUPAC name is 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
PubChem CID91287445
Molecular FormulaC55H42N4
Molecular Weight758.97 g/mol
Exact Mass758.34
IUPAC Name1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESCC1CC=Cc2c1c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C55H42N4/c1-39-17-16-28-54-55(39)50-38-47(34-36-53(50)59(54)43-24-12-5-13-25-43)57(41-20-8-3-9-21-41)45-31-29-44(30-32-45)56(40-18-6-2-7-19-40)46-33-35-52-49(37-46)48-26-14-15-27-51(48)58(52)42-22-10-4-11-23-42/h2-16,18-39H,17H2,1H3
InChIKeyBCWBTXHWLPYPRO-UHFFFAOYSA-N
XLogP15.19
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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,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-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
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
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine (CID 91287445) is 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine is CC1CC=Cc2c1c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The InChIKey is BCWBTXHWLPYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4/c1-39-17-16-28-54-55(39)50-38-47(34-36-53(50)59(54)43-24-12-5-13-25-43)57(41-20-8-3-9-21-41)45-31-29-44(30-32-45)56(40-18-6-2-7-19-40)46-33-35-52-49(37-46)48-26-14-15-27-51(48)58(52)42-22-10-4-11-23-42/h2-16,18-39H,17H2,1H3.
What are the key properties of 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine has a molecular weight of 758.97 g/mol, XLogP of 15.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 91287445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).