2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole

C56H34N4 — CID 146375622

IUPAC2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3c3cc4ccccc4cc32)c1
InChIInChI=1S/C56H34N4/c1-3-16-38-32-53-47(30-36(38)14-1)44-22-8-10-26-51(44)60(53)42-27-28-52-49(34-42)48-31-37-15-2-4-17-39(37)33-54(48)59(52)41-20-11-19-40(29-41)56-57-50-25-9-7-23-46(50)55(58-56)45-24-12-18-35-13-5-6-21-43(35)45/h1-34H
InChIKeyZQCGHQNPFKQCRK-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole

2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146375622) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146375622
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3c3cc4ccccc4cc32)c1
InChIInChI=1S/C56H34N4/c1-3-16-38-32-53-47(30-36(38)14-1)44-22-8-10-26-51(44)60(53)42-27-28-52-49(34-42)48-31-37-15-2-4-17-39(37)33-54(48)59(52)41-20-11-19-40(29-41)56-57-50-25-9-7-23-46(50)55(58-56)45-24-12-18-35-13-5-6-21-43(35)45/h1-34H
InChIKeyZQCGHQNPFKQCRK-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362117
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
2-carbazol-9-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477424
12-[3-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 139362039
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole (CID 146375622) is 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole is c1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3c3cc4ccccc4cc32)c1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is ZQCGHQNPFKQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-16-38-32-53-47(30-36(38)14-1)44-22-8-10-26-51(44)60(53)42-27-28-52-49(34-42)48-31-37-15-2-4-17-39(37)33-54(48)59(52)41-20-11-19-40(29-41)56-57-50-25-9-7-23-46(50)55(58-56)45-24-12-18-35-13-5-6-21-43(35)45/h1-34H.
What are the key properties of 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).