9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole

C45H31N3 — CID 166750436

IUPAC9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(c3cc(-c4ccccc4)c4ccccc4n3)C2C=C1
InChIInChI=1S/C45H31N3/c1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33/h1-29,36,42H
InChIKeyVYEUMKNYAPRBDC-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.40
Rot. Bonds4

About 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole

9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 166750436) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
PubChem CID166750436
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(c3cc(-c4ccccc4)c4ccccc4n3)C2C=C1
InChIInChI=1S/C45H31N3/c1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33/h1-29,36,42H
InChIKeyVYEUMKNYAPRBDC-UHFFFAOYSA-N
XLogP11.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole
CID 89018420
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 155017027

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 166750436) is 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(c3cc(-c4ccccc4)c4ccccc4n3)C2C=C1.
What is the InChIKey of 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is VYEUMKNYAPRBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33/h1-29,36,42H.
What are the key properties of 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 613.76 g/mol, XLogP of 11.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 166750436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).