9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole

C54H36N2 — CID 134369783

IUPAC9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-4-13-37(14-5-1)38-23-25-39(26-24-38)40-27-29-41(30-28-40)46-20-12-22-53-54(46)49-36-43(32-34-52(49)56(53)45-17-8-3-9-18-45)42-31-33-51-48(35-42)47-19-10-11-21-50(47)55(51)44-15-6-2-7-16-44/h1-36H
InChIKeyZQPGCXHLTXXBBH-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole

9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 134369783) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID134369783
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-4-13-37(14-5-1)38-23-25-39(26-24-38)40-27-29-41(30-28-40)46-20-12-22-53-54(46)49-36-43(32-34-52(49)56(53)45-17-8-3-9-18-45)42-31-33-51-48(35-42)47-19-10-11-21-50(47)55(51)44-15-6-2-7-16-44/h1-36H
InChIKeyZQPGCXHLTXXBBH-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole (CID 134369783) is 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is ZQPGCXHLTXXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-13-37(14-5-1)38-23-25-39(26-24-38)40-27-29-41(30-28-40)46-20-12-22-53-54(46)49-36-43(32-34-52(49)56(53)45-17-8-3-9-18-45)42-31-33-51-48(35-42)47-19-10-11-21-50(47)55(51)44-15-6-2-7-16-44/h1-36H.
What are the key properties of 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole?
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 134369783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).