4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole

C54H36N2 — CID 118231228

IUPAC4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc54)cc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-15-37(16-5-1)41-33-42(38-17-6-2-7-18-38)35-43(34-41)39-27-30-45(31-28-39)56-50-24-12-10-21-47(50)48-32-29-40(36-53(48)56)46-23-14-26-52-54(46)49-22-11-13-25-51(49)55(52)44-19-8-3-9-20-44/h1-36H
InChIKeyNIJXPZYSFHIJOM-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole

4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 118231228) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID118231228
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc54)cc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-4-15-37(16-5-1)41-33-42(38-17-6-2-7-18-38)35-43(34-41)39-27-30-45(31-28-39)56-50-24-12-10-21-47(50)48-32-29-40(36-53(48)56)46-23-14-26-52-54(46)49-22-11-13-25-51(49)55(52)44-19-8-3-9-20-44/h1-36H
InChIKeyNIJXPZYSFHIJOM-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

3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 118231228) is 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc54)cc3)c2)cc1.
What is the InChIKey of 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is NIJXPZYSFHIJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-15-37(16-5-1)41-33-42(38-17-6-2-7-18-38)35-43(34-41)39-27-30-45(31-28-39)56-50-24-12-10-21-47(50)48-32-29-40(36-53(48)56)46-23-14-26-52-54(46)49-22-11-13-25-51(49)55(52)44-19-8-3-9-20-44/h1-36H.
What are the key properties of 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole 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 4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118231228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).