3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole

C51H33N5 — CID 118317666

IUPAC3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4cc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)c7ccccc7n6)cc5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H33N5/c1-3-11-39(12-4-1)55-32-30-43-47(55)29-27-41-44-33-38(26-28-48(44)56(50(41)43)40-13-5-2-6-14-40)34-18-24-37(25-19-34)51-53-46-17-8-7-15-42(46)49(54-51)36-22-20-35(21-23-36)45-16-9-10-31-52-45/h1-33H
InChIKeyJQSZMLCPKMYJEV-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole

3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 118317666) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
PubChem CID118317666
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c2ccc2c4cc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)c7ccccc7n6)cc5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H33N5/c1-3-11-39(12-4-1)55-32-30-43-47(55)29-27-41-44-33-38(26-28-48(44)56(50(41)43)40-13-5-2-6-14-40)34-18-24-37(25-19-34)51-53-46-17-8-7-15-42(46)49(54-51)36-22-20-35(21-23-36)45-16-9-10-31-52-45/h1-33H
InChIKeyJQSZMLCPKMYJEV-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 123851568
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289
3-phenyl-10-[3-(4-phenylquinazolin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062504
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
3,10-diphenyl-7-(5-phenylpyrazin-2-yl)pyrrolo[3,2-a]carbazole
CID 123618530
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451
6-[4-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118317331

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole?
The IUPAC name of 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole (CID 118317666) is 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)c7ccccc7n6)cc5)ccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole?
The InChIKey is JQSZMLCPKMYJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-11-39(12-4-1)55-32-30-43-47(55)29-27-41-44-33-38(26-28-48(44)56(50(41)43)40-13-5-2-6-14-40)34-18-24-37(25-19-34)51-53-46-17-8-7-15-42(46)49(54-51)36-22-20-35(21-23-36)45-16-9-10-31-52-45/h1-33H.
What are the key properties of 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole?
3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-7-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118317666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).