3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole

C36H26N2 — CID 118369059

IUPAC3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
SMILESC1=CC2C(C=C1c1ccc3[nH]c4ccccc4c3c1)c1ccccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H26N2/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34/h1-23,32,36-37H
InChIKeyPLPNFTNTQQJSFE-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.25
Rot. Bonds3

About 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole

3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole (PubChem CID 118369059) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
PubChem CID118369059
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
SMILESC1=CC2C(C=C1c1ccc3[nH]c4ccccc4c3c1)c1ccccc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H26N2/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34/h1-23,32,36-37H
InChIKeyPLPNFTNTQQJSFE-UHFFFAOYSA-N
XLogP9.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
CID 118369096
3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369062
3,6-bis[6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 59818479
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-dibenzothiophen-4-yl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 145085132
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole (CID 118369059) is 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole is C1=CC2C(C=C1c1ccc3[nH]c4ccccc4c3c1)c1ccccc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
The InChIKey is PLPNFTNTQQJSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34/h1-23,32,36-37H.
What are the key properties of 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole?
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole is sourced from PubChem (CID 118369059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).