7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one

C39H26N2O2 — CID 58612989

IUPAC7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one
SMILESO=c1oc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H26N2O2/c42-39-35(27-19-22-31(23-20-27)40(29-11-3-1-4-12-29)30-13-5-2-6-14-30)25-28-21-24-32(26-38(28)43-39)41-36-17-9-7-15-33(36)34-16-8-10-18-37(34)41/h1-26H
InChIKeyXPAOVVLKKSYAIA-UHFFFAOYSA-N
MW554.65 g/mol
LogP10.03
Rot. Bonds5

About 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one

7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one (PubChem CID 58612989) has the molecular formula C39H26N2O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one.

Molecular Properties

Compound Name7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one
PubChem CID58612989
Molecular FormulaC39H26N2O2
Molecular Weight554.65 g/mol
Exact Mass554.20
IUPAC Name7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one
SMILESO=c1oc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H26N2O2/c42-39-35(27-19-22-31(23-20-27)40(29-11-3-1-4-12-29)30-13-5-2-6-14-30)25-28-21-24-32(26-38(28)43-39)41-36-17-9-7-15-33(36)34-16-8-10-18-37(34)41/h1-26H
InChIKeyXPAOVVLKKSYAIA-UHFFFAOYSA-N
XLogP10.03
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-[4-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321282

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one?
The IUPAC name of 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one (CID 58612989) is 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one.
What is the SMILES notation for 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one?
The canonical SMILES for 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one is O=c1oc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one?
The InChIKey is XPAOVVLKKSYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O2/c42-39-35(27-19-22-31(23-20-27)40(29-11-3-1-4-12-29)30-13-5-2-6-14-30)25-28-21-24-32(26-38(28)43-39)41-36-17-9-7-15-33(36)34-16-8-10-18-37(34)41/h1-26H.
What are the key properties of 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one?
7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one has a molecular weight of 554.65 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one is sourced from PubChem (CID 58612989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).