N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C82H63N7 — CID 165110598

IUPACN-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[C-]#[N+]c1ccc(N(C)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C31H24N2.C26H19N3.C25H20N2/c1-32(25-10-4-2-5-11-25)26-19-16-23(17-20-26)24-18-21-31-29(22-24)28-14-8-9-15-30(28)33(31)27-12-6-3-7-13-27;1-27-19-12-14-20(15-13-19)28(2)22-16-17-26-24(18-22)23-10-6-7-11-25(23)29(26)21-8-4-3-5-9-21;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20/h2-22H,1H3;3-18H,2H3;2-18H,1H3
InChIKeyZWOGOFVGRVXJGX-UHFFFAOYSA-N
MW1146.45 g/mol
LogP21.87
Rot. Bonds10

About N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 165110598) has the molecular formula C82H63N7 and a molecular weight of 1146.45 g/mol. Its IUPAC name is N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID165110598
Molecular FormulaC82H63N7
Molecular Weight1146.45 g/mol
Exact Mass1145.51
IUPAC NameN-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[C-]#[N+]c1ccc(N(C)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C31H24N2.C26H19N3.C25H20N2/c1-32(25-10-4-2-5-11-25)26-19-16-23(17-20-26)24-18-21-31-29(22-24)28-14-8-9-15-30(28)33(31)27-12-6-3-7-13-27;1-27-19-12-14-20(15-13-19)28(2)22-16-17-26-24(18-22)23-10-6-7-11-25(23)29(26)21-8-4-3-5-9-21;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20/h2-22H,1H3;3-18H,2H3;2-18H,1H3
InChIKeyZWOGOFVGRVXJGX-UHFFFAOYSA-N
XLogP21.87
TPSA28.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.45
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
N-methyl-N,9-diphenyl-6-(2-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(3-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 160593768
N-(4-isocyanophenyl)-9,9-dimethyl-7-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 88534195
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123239087
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 165110598) is N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[C-]#[N+]c1ccc(N(C)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is ZWOGOFVGRVXJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2.C26H19N3.C25H20N2/c1-32(25-10-4-2-5-11-25)26-19-16-23(17-20-26)24-18-21-31-29(22-24)28-14-8-9-15-30(28)33(31)27-12-6-3-7-13-27;1-27-19-12-14-20(15-13-19)28(2)22-16-17-26-24(18-22)23-10-6-7-11-25(23)29(26)21-8-4-3-5-9-21;1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20/h2-22H,1H3;3-18H,2H3;2-18H,1H3.
What are the key properties of N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 1146.45 g/mol, XLogP of 21.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 165110598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).