6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C44H27N5 — CID 134508650

IUPAC6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc31)n1c3ccccc3nc21
InChIInChI=1S/C44H27N5/c1-5-15-36-34(14-1)43-45-37-16-6-10-20-42(37)49(43)44(46-36)48-40-19-9-4-13-33(40)35-27-29(23-26-41(35)48)28-21-24-30(25-22-28)47-38-17-7-2-11-31(38)32-12-3-8-18-39(32)47/h1-27H
InChIKeyFKXQBSFKOXAUFY-UHFFFAOYSA-N
MW625.74 g/mol
LogP10.90
Rot. Bonds3

About 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508650) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508650
Molecular FormulaC44H27N5
Molecular Weight625.74 g/mol
Exact Mass625.23
IUPAC Name6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc31)n1c3ccccc3nc21
InChIInChI=1S/C44H27N5/c1-5-15-36-34(14-1)43-45-37-16-6-10-20-42(37)49(43)44(46-36)48-40-19-9-4-13-33(40)35-27-29(23-26-41(35)48)28-21-24-30(25-22-28)47-38-17-7-2-11-31(38)32-12-3-8-18-39(32)47/h1-27H
InChIKeyFKXQBSFKOXAUFY-UHFFFAOYSA-N
XLogP10.90
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.74
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
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-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508747
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-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
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
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508693

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134508650) is 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc31)n1c3ccccc3nc21.
What is the InChIKey of 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is FKXQBSFKOXAUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c1-5-15-36-34(14-1)43-45-37-16-6-10-20-42(37)49(43)44(46-36)48-40-19-9-4-13-33(40)35-27-29(23-26-41(35)48)28-21-24-30(25-22-28)47-38-17-7-2-11-31(38)32-12-3-8-18-39(32)47/h1-27H.
What are the key properties of 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 625.74 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).