N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine

C37H31N3 — CID 144830963

IUPACN-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine
SMILESCNc1cccc2c1C1CC=CC=C1N2c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C37H31N3/c1-38-34-22-12-24-36-37(34)33-21-8-9-23-35(33)40(36)32-20-11-14-28(26-32)27-13-10-19-31(25-27)39(29-15-4-2-5-16-29)30-17-6-3-7-18-30/h2-20,22-26,33,38H,21H2,1H3
InChIKeyWDNMLWPFFKBOBF-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.94
Rot. Bonds6

About N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine

N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine (PubChem CID 144830963) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine.

Molecular Properties

Compound NameN-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine
PubChem CID144830963
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC NameN-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine
SMILESCNc1cccc2c1C1CC=CC=C1N2c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C37H31N3/c1-38-34-22-12-24-36-37(34)33-21-8-9-23-35(33)40(36)32-20-11-14-28(26-32)27-13-10-19-31(25-27)39(29-15-4-2-5-16-29)30-17-6-3-7-18-30/h2-20,22-26,33,38H,21H2,1H3
InChIKeyWDNMLWPFFKBOBF-UHFFFAOYSA-N
XLogP9.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
N-[4-[2-(9-dibenzothiophen-2-yl-4b,5-dihydrocarbazol-3-yl)phenyl]phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 144844401
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline
CID 145373895
N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
CID 144907550
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
N-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),4,6,9(14),10,12,16(27),17,19,21,23-undecaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 147793781
5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole
CID 174370064
N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline
CID 167195062
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N-[4-[3-(9H-acridin-10-yl)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 122425491

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine?
The IUPAC name of N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine (CID 144830963) is N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine.
What is the SMILES notation for N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine?
The canonical SMILES for N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine is CNc1cccc2c1C1CC=CC=C1N2c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine?
The InChIKey is WDNMLWPFFKBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-38-34-22-12-24-36-37(34)33-21-8-9-23-35(33)40(36)32-20-11-14-28(26-32)27-13-10-19-31(25-27)39(29-15-4-2-5-16-29)30-17-6-3-7-18-30/h2-20,22-26,33,38H,21H2,1H3.
What are the key properties of N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine?
N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine has a molecular weight of 517.68 g/mol, XLogP of 9.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine is sourced from PubChem (CID 144830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).