6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C48H29N5 — CID 134509081

IUPAC6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)cc43)ccc2c1
InChIInChI=1S/C48H29N5/c1-2-12-31-27-34(24-21-30(31)11-1)51-42-18-8-4-13-35(42)37-25-22-32(28-45(37)51)33-23-26-38-36-14-5-9-19-43(36)52(46(38)29-33)48-50-40-16-6-3-15-39(40)47-49-41-17-7-10-20-44(41)53(47)48/h1-29H
InChIKeySESXSHZSYJKZMF-UHFFFAOYSA-N
MW675.80 g/mol
LogP12.05
Rot. Bonds3

About 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509081) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134509081
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)cc43)ccc2c1
InChIInChI=1S/C48H29N5/c1-2-12-31-27-34(24-21-30(31)11-1)51-42-18-8-4-13-35(42)37-25-22-32(28-45(37)51)33-23-26-38-36-14-5-9-19-43(36)52(46(38)29-33)48-50-40-16-6-3-15-39(40)47-49-41-17-7-10-20-44(41)53(47)48/h1-29H
InChIKeySESXSHZSYJKZMF-UHFFFAOYSA-N
XLogP12.05
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158881865
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-[10-[3,5-di(carbazol-9-yl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-[9-(4-phenylphenyl)carbazol-2-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 160944711
6-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159030344
6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509179

Frequently Asked Questions

What is the IUPAC name of 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134509081) is 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)cc43)ccc2c1.
What is the InChIKey of 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is SESXSHZSYJKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c1-2-12-31-27-34(24-21-30(31)11-1)51-42-18-8-4-13-35(42)37-25-22-32(28-45(37)51)33-23-26-38-36-14-5-9-19-43(36)52(46(38)29-33)48-50-40-16-6-3-15-39(40)47-49-41-17-7-10-20-44(41)53(47)48/h1-29H.
What are the key properties of 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 675.80 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).