3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole

C54H36N2 — CID 118084408

IUPAC3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-5-15-37(16-6-1)40-26-29-52-49(34-40)50-35-41(38-17-7-2-8-18-38)27-30-53(50)56(52)46-32-43(39-19-9-3-10-20-39)31-44(33-46)42-25-28-48-47-23-13-14-24-51(47)55(54(48)36-42)45-21-11-4-12-22-45/h1-36H
InChIKeyWFEBARLGAQHGPM-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole

3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole (PubChem CID 118084408) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
PubChem CID118084408
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H36N2/c1-5-15-37(16-6-1)40-26-29-52-49(34-40)50-35-41(38-17-7-2-8-18-38)27-30-53(50)56(52)46-32-43(39-19-9-3-10-20-39)31-44(33-46)42-25-28-48-47-23-13-14-24-51(47)55(54(48)36-42)45-21-11-4-12-22-45/h1-36H
InChIKeyWFEBARLGAQHGPM-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-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
9-phenyl-2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]phenyl]-7-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 166922681
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole (CID 118084408) is 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The InChIKey is WFEBARLGAQHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-5-15-37(16-6-1)40-26-29-52-49(34-40)50-35-41(38-17-7-2-8-18-38)27-30-53(50)56(52)46-32-43(39-19-9-3-10-20-39)31-44(33-46)42-25-28-48-47-23-13-14-24-51(47)55(54(48)36-42)45-21-11-4-12-22-45/h1-36H.
What are the key properties of 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole?
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)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 3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118084408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).