6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole

C53H34N4 — CID 170064512

IUPAC6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4cccnc43)cc2)cc1
InChIInChI=1S/C53H34N4/c1-2-13-35(14-3-1)36-24-27-38(28-25-36)56-51-30-26-37(33-45(51)44-19-12-32-54-53(44)56)40-15-4-8-20-47(40)57-50-23-11-7-18-43(50)46-34-39(29-31-52(46)57)55-48-21-9-5-16-41(48)42-17-6-10-22-49(42)55/h1-34H
InChIKeyRLYICTBYWGVAQZ-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.71
Rot. Bonds5

About 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole

6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole (PubChem CID 170064512) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
PubChem CID170064512
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4cccnc43)cc2)cc1
InChIInChI=1S/C53H34N4/c1-2-13-35(14-3-1)36-24-27-38(28-25-36)56-51-30-26-37(33-45(51)44-19-12-32-54-53(44)56)40-15-4-8-20-47(40)57-50-23-11-7-18-43(50)46-34-39(29-31-52(46)57)55-48-21-9-5-16-41(48)42-17-6-10-22-49(42)55/h1-34H
InChIKeyRLYICTBYWGVAQZ-UHFFFAOYSA-N
XLogP13.71
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole (CID 170064512) is 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole is c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4cccnc43)cc2)cc1.
What is the InChIKey of 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The InChIKey is RLYICTBYWGVAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-2-13-35(14-3-1)36-24-27-38(28-25-36)56-51-30-26-37(33-45(51)44-19-12-32-54-53(44)56)40-15-4-8-20-47(40)57-50-23-11-7-18-43(50)46-34-39(29-31-52(46)57)55-48-21-9-5-16-41(48)42-17-6-10-22-49(42)55/h1-34H.
What are the key properties of 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole?
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole has a molecular weight of 726.88 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 170064512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).