9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole

C48H34N2 — CID 168748236

IUPAC9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2C=C1c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H34N2/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-32,43,48H
InChIKeyMHSZGVOAECVVFK-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.38
Rot. Bonds5

About 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole

9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole (PubChem CID 168748236) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
PubChem CID168748236
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2C=C1c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H34N2/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-32,43,48H
InChIKeyMHSZGVOAECVVFK-UHFFFAOYSA-N
XLogP12.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-[9-(9-phenyl-4a,9a-dihydrocarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170139674
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole (CID 168748236) is 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole is C1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2C=C1c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole?
The InChIKey is MHSZGVOAECVVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-46-24-10-8-22-42(46)44-31-37(26-28-47(44)49)38-25-27-43-41-21-7-9-23-45(41)50(48(43)32-38)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-32,43,48H.
What are the key properties of 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole?
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole has a molecular weight of 638.81 g/mol, XLogP of 12.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole is sourced from PubChem (CID 168748236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).