8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole

C65H40N4 — CID 146375166

IUPAC8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5cc4-c4cc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc65)c5ccccc5c4)cc32)cc1
InChIInChI=1S/C65H40N4/c1-2-18-47(19-3-1)67-58-26-12-9-23-52(58)54-33-31-44(38-63(54)67)65-55(37-43-17-5-11-25-57(43)66-65)46-34-42-16-4-6-20-49(42)62(40-46)69-61-29-15-10-24-53(61)56-36-41-30-32-48(35-45(41)39-64(56)69)68-59-27-13-7-21-50(59)51-22-8-14-28-60(51)68/h1-40H
InChIKeyOKFUUAOEDLMEHE-UHFFFAOYSA-N
MW877.06 g/mol
LogP17.17
Rot. Bonds5

About 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole

8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375166) has the molecular formula C65H40N4 and a molecular weight of 877.06 g/mol. Its IUPAC name is 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID146375166
Molecular FormulaC65H40N4
Molecular Weight877.06 g/mol
Exact Mass876.33
IUPAC Name8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5cc4-c4cc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc65)c5ccccc5c4)cc32)cc1
InChIInChI=1S/C65H40N4/c1-2-18-47(19-3-1)67-58-26-12-9-23-52(58)54-33-31-44(38-63(54)67)65-55(37-43-17-5-11-25-57(43)66-65)46-34-42-16-4-6-20-49(42)62(40-46)69-61-29-15-10-24-53(61)56-36-41-30-32-48(35-45(41)39-64(56)69)68-59-27-13-7-21-50(59)51-22-8-14-28-60(51)68/h1-40H
InChIKeyOKFUUAOEDLMEHE-UHFFFAOYSA-N
XLogP17.17
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.06
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzo[b]carbazol-5-yl-5-[3-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375040
9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375007
8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375225
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
7-carbazol-9-yl-2-ethenyl-1-[3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]-3-[(Z)-prop-1-enyl]benzo[f]indole
CID 146375819
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
2-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;2-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 165003485
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-benzo[b]carbazol-5-yl-5-[4-(3-phenanthren-9-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375039

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146375166) is 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5cc4-c4cc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc65)c5ccccc5c4)cc32)cc1.
What is the InChIKey of 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is OKFUUAOEDLMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N4/c1-2-18-47(19-3-1)67-58-26-12-9-23-52(58)54-33-31-44(38-63(54)67)65-55(37-43-17-5-11-25-57(43)66-65)46-34-42-16-4-6-20-49(42)62(40-46)69-61-29-15-10-24-53(61)56-36-41-30-32-48(35-45(41)39-64(56)69)68-59-27-13-7-21-50(59)51-22-8-14-28-60(51)68/h1-40H.
What are the key properties of 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole?
8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 877.06 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-5-[3-[2-(9-phenylcarbazol-2-yl)quinolin-3-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).