3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole

C30H19N3 — CID 149263737

IUPAC3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)[nH]c3cc5ccccc5cc34)nc3ccccc23)cc1
InChIInChI=1S/C30H19N3/c1-2-8-19(9-3-1)29-24-12-6-7-13-26(24)32-30(33-29)22-14-15-23-25-16-20-10-4-5-11-21(20)17-28(25)31-27(23)18-22/h1-18,31H
InChIKeyXPSWKXJNMZOJJI-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.75
Rot. Bonds2

About 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole

3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole (PubChem CID 149263737) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole.

Molecular Properties

Compound Name3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole
PubChem CID149263737
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)[nH]c3cc5ccccc5cc34)nc3ccccc23)cc1
InChIInChI=1S/C30H19N3/c1-2-8-19(9-3-1)29-24-12-6-7-13-26(24)32-30(33-29)22-14-15-23-25-16-20-10-4-5-11-21(20)17-28(25)31-27(23)18-22/h1-18,31H
InChIKeyXPSWKXJNMZOJJI-UHFFFAOYSA-N
XLogP7.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole?
The IUPAC name of 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole (CID 149263737) is 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole.
What is the SMILES notation for 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole?
The canonical SMILES for 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)[nH]c3cc5ccccc5cc34)nc3ccccc23)cc1.
What is the InChIKey of 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole?
The InChIKey is XPSWKXJNMZOJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c1-2-8-19(9-3-1)29-24-12-6-7-13-26(24)32-30(33-29)22-14-15-23-25-16-20-10-4-5-11-21(20)17-28(25)31-27(23)18-22/h1-18,31H.
What are the key properties of 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole?
3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole has a molecular weight of 421.50 g/mol, XLogP of 7.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole is sourced from PubChem (CID 149263737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).