6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline

C46H28N4 — CID 134509045

IUPAC6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c3)ccc2c1
InChIInChI=1S/C46H28N4/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-44(38)49(43(37)27-35)46-48-40-14-6-5-13-39(40)45-47-41-15-7-8-16-42(41)50(45)46/h1-28H
InChIKeyYQHPGDAIVHNLOF-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.77
Rot. Bonds3

About 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline

6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline (PubChem CID 134509045) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
PubChem CID134509045
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c3)ccc2c1
InChIInChI=1S/C46H28N4/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-44(38)49(43(37)27-35)46-48-40-14-6-5-13-39(40)45-47-41-15-7-8-16-42(41)50(45)46/h1-28H
InChIKeyYQHPGDAIVHNLOF-UHFFFAOYSA-N
XLogP11.77
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
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-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
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-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508964
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-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509179
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline (CID 134509045) is 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline is c1ccc2cc(-c3ccc4c5ccc(-c6ccc7ccccc7c6)cc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c3)ccc2c1.
What is the InChIKey of 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is YQHPGDAIVHNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-44(38)49(43(37)27-35)46-48-40-14-6-5-13-39(40)45-47-41-15-7-8-16-42(41)50(45)46/h1-28H.
What are the key properties of 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline?
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 636.76 g/mol, XLogP of 11.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).