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

C50H31N5 — CID 134508649

IUPAC6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cc4)ccc32)cc1
InChIInChI=1S/C50H31N5/c1-2-12-36(13-3-1)53-44-19-9-5-14-37(44)40-30-34(26-28-46(40)53)32-22-24-33(25-23-32)35-27-29-47-41(31-35)38-15-6-10-20-45(38)54(47)50-52-42-17-7-4-16-39(42)49-51-43-18-8-11-21-48(43)55(49)50/h1-31H
InChIKeyBJQNZWLQUZJBHE-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.56
Rot. Bonds4

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

6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508649) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508649
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cc4)ccc32)cc1
InChIInChI=1S/C50H31N5/c1-2-12-36(13-3-1)53-44-19-9-5-14-37(44)40-30-34(26-28-46(40)53)32-22-24-33(25-23-32)35-27-29-47-41(31-35)38-15-6-10-20-45(38)54(47)50-52-42-17-7-4-16-39(42)49-51-43-18-8-11-21-48(43)55(49)50/h1-31H
InChIKeyBJQNZWLQUZJBHE-UHFFFAOYSA-N
XLogP12.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
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-[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
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-[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-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
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-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134508649) is 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cc4)ccc32)cc1.
What is the InChIKey of 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is BJQNZWLQUZJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-2-12-36(13-3-1)53-44-19-9-5-14-37(44)40-30-34(26-28-46(40)53)32-22-24-33(25-23-32)35-27-29-47-41(31-35)38-15-6-10-20-45(38)54(47)50-52-42-17-7-4-16-39(42)49-51-43-18-8-11-21-48(43)55(49)50/h1-31H.
What are the key properties of 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 701.83 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).