9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole

C54H36N2 — CID 59306592

IUPAC9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-13-37(14-4-1)43-17-7-9-19-45(43)40-26-31-53-49(34-40)50-35-41(46-20-10-8-18-44(46)38-15-5-2-6-16-38)27-32-54(50)56(53)42-28-23-36(24-29-42)39-25-30-52-48(33-39)47-21-11-12-22-51(47)55-52/h1-35,55H
InChIKeyWVJYPMXVGFOKEG-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.75
Rot. Bonds6

About 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole

9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 59306592) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
PubChem CID59306592
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-13-37(14-4-1)43-17-7-9-19-45(43)40-26-31-53-49(34-40)50-35-41(46-20-10-8-18-44(46)38-15-5-2-6-16-38)27-32-54(50)56(53)42-28-23-36(24-29-42)39-25-30-52-48(33-39)47-21-11-12-22-51(47)55-52/h1-35,55H
InChIKeyWVJYPMXVGFOKEG-UHFFFAOYSA-N
XLogP14.75
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
10-(9H-carbazol-3-yl)-5,7-diphenylbenzo[c]carbazole
CID 147230918
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
1-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 59307184
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole?
The IUPAC name of 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole (CID 59306592) is 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole.
What is the SMILES notation for 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole?
The canonical SMILES for 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole?
The InChIKey is WVJYPMXVGFOKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-13-37(14-4-1)43-17-7-9-19-45(43)40-26-31-53-49(34-40)50-35-41(46-20-10-8-18-44(46)38-15-5-2-6-16-38)27-32-54(50)56(53)42-28-23-36(24-29-42)39-25-30-52-48(33-39)47-21-11-12-22-51(47)55-52/h1-35,55H.
What are the key properties of 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole?
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole is sourced from PubChem (CID 59306592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).