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

C54H38N2 — CID 170079369

IUPAC9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C=C1
InChIInChI=1S/C54H38N2/c1-3-12-37(13-4-1)39-22-24-40(25-23-39)41-26-30-45(31-27-41)55-51-20-9-7-18-47(51)49-35-43(28-32-53(49)55)44-29-33-54-50(36-44)48-19-8-10-21-52(48)56(54)46-17-11-16-42(34-46)38-14-5-2-6-15-38/h1-36,47,51H
InChIKeyYHNRJVZBVVSTHR-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.18
Rot. Bonds6

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

9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 170079369) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
PubChem CID170079369
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C=C1
InChIInChI=1S/C54H38N2/c1-3-12-37(13-4-1)39-22-24-40(25-23-39)41-26-30-45(31-27-41)55-51-20-9-7-18-47(51)49-35-43(28-32-53(49)55)44-29-33-54-50(36-44)48-19-8-10-21-52(48)56(54)46-17-11-16-42(34-46)38-14-5-2-6-15-38/h1-36,47,51H
InChIKeyYHNRJVZBVVSTHR-UHFFFAOYSA-N
XLogP14.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
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

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 170079369) is 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C=C1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is YHNRJVZBVVSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-12-37(13-4-1)39-22-24-40(25-23-39)41-26-30-45(31-27-41)55-51-20-9-7-18-47(51)49-35-43(28-32-53(49)55)44-29-33-54-50(36-44)48-19-8-10-21-52(48)56(54)46-17-11-16-42(34-46)38-14-5-2-6-15-38/h1-36,47,51H.
What are the key properties of 9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 714.91 g/mol, XLogP of 14.18, 6 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-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 170079369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).