3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole

C42H30N2 — CID 123217944

IUPAC3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C42H30N2/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-40-21-10-8-19-36(40)38-28-32(23-25-42(38)44)31-22-24-41-37(27-31)35-18-7-9-20-39(35)43(41)33-15-5-2-6-16-33/h1-28,35,39H
InChIKeyKZEISTNCWBETHN-UHFFFAOYSA-N
MW562.72 g/mol
LogP10.85
Rot. Bonds4

About 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 123217944) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
PubChem CID123217944
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C42H30N2/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-40-21-10-8-19-36(40)38-28-32(23-25-42(38)44)31-22-24-41-37(27-31)35-18-7-9-20-39(35)43(41)33-15-5-2-6-16-33/h1-28,35,39H
InChIKeyKZEISTNCWBETHN-UHFFFAOYSA-N
XLogP10.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
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
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-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
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-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170139674

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole (CID 123217944) is 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is KZEISTNCWBETHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-40-21-10-8-19-36(40)38-28-32(23-25-42(38)44)31-22-24-41-37(27-31)35-18-7-9-20-39(35)43(41)33-15-5-2-6-16-33/h1-28,35,39H.
What are the key properties of 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole?
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 562.72 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 123217944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).