9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole

C51H33N3 — CID 71127134

IUPAC9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5cccc6cccnc56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C51H33N3/c1-3-17-38(18-4-1)53-47-28-9-7-21-43(47)45-26-12-24-41(50(45)53)36-31-35(40-23-11-15-34-16-14-30-52-49(34)40)32-37(33-36)42-25-13-27-46-44-22-8-10-29-48(44)54(51(42)46)39-19-5-2-6-20-39/h1-33H
InChIKeyRSMRKJRUTMQPED-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole

9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole (PubChem CID 71127134) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
PubChem CID71127134
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5cccc6cccnc56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1
InChIInChI=1S/C51H33N3/c1-3-17-38(18-4-1)53-47-28-9-7-21-43(47)45-26-12-24-41(50(45)53)36-31-35(40-23-11-15-34-16-14-30-52-49(34)40)32-37(33-36)42-25-13-27-46-44-22-8-10-29-48(44)54(51(42)46)39-19-5-2-6-20-39/h1-33H
InChIKeyRSMRKJRUTMQPED-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole?
The IUPAC name of 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole (CID 71127134) is 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole?
The canonical SMILES for 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5cccc6cccnc56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c32)cc1.
What is the InChIKey of 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole?
The InChIKey is RSMRKJRUTMQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-17-38(18-4-1)53-47-28-9-7-21-43(47)45-26-12-24-41(50(45)53)36-31-35(40-23-11-15-34-16-14-30-52-49(34)40)32-37(33-36)42-25-13-27-46-44-22-8-10-29-48(44)54(51(42)46)39-19-5-2-6-20-39/h1-33H.
What are the key properties of 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole?
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole has a molecular weight of 687.85 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole is sourced from PubChem (CID 71127134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).