phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone

C37H26N2O — CID 121420603

IUPACphenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H26N2O/c40-37(27-14-4-1-5-15-27)32-21-11-13-23-35(32)39-34-22-12-10-20-31(34)33-26-30(24-25-36(33)39)38(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-26H
InChIKeyGHPTXPULDCHAMZ-UHFFFAOYSA-N
MW514.63 g/mol
LogP9.48
Rot. Bonds6

About phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone

phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone (PubChem CID 121420603) has the molecular formula C37H26N2O and a molecular weight of 514.63 g/mol. Its IUPAC name is phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone
PubChem CID121420603
Molecular FormulaC37H26N2O
Molecular Weight514.63 g/mol
Exact Mass514.20
IUPAC Namephenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H26N2O/c40-37(27-14-4-1-5-15-27)32-21-11-13-23-35(32)39-34-22-12-10-20-31(34)33-26-30(24-25-36(33)39)38(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-26H
InChIKeyGHPTXPULDCHAMZ-UHFFFAOYSA-N
XLogP9.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(3-carbazol-9-ylcarbazol-9-yl)benzoyl]phenyl]-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone;[4-(2-phenoxazin-10-ylbenzoyl)phenyl]-(2-phenoxazin-10-ylphenyl)methanone;[4-[2-[3-(N-phenylanilino)carbazol-9-yl]benzoyl]phenyl]-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone
CID 158579945
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
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,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
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-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The IUPAC name of phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone (CID 121420603) is phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone.
What is the SMILES notation for phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The canonical SMILES for phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone is O=C(c1ccccc1)c1ccccc1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
The InChIKey is GHPTXPULDCHAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O/c40-37(27-14-4-1-5-15-27)32-21-11-13-23-35(32)39-34-22-12-10-20-31(34)33-26-30(24-25-36(33)39)38(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-26H.
What are the key properties of phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone?
phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone has a molecular weight of 514.63 g/mol, XLogP of 9.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]methanone is sourced from PubChem (CID 121420603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).