5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole

C33H18N4O2 — CID 139422404

IUPAC5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2nc(-c3ccc4oc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3)ncc2c1
InChIInChI=1S/C33H18N4O2/c1-4-10-24-20(7-1)18-34-32(35-24)19-13-16-29-25(17-19)36-33(39-29)37-26-11-5-2-9-23(26)30-27(37)15-14-22-21-8-3-6-12-28(21)38-31(22)30/h1-18H
InChIKeyAGHNQGGXPPAWJY-UHFFFAOYSA-N
MW502.53 g/mol
LogP8.43
Rot. Bonds2

About 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 139422404) has the molecular formula C33H18N4O2 and a molecular weight of 502.53 g/mol. Its IUPAC name is 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID139422404
Molecular FormulaC33H18N4O2
Molecular Weight502.53 g/mol
Exact Mass502.14
IUPAC Name5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2nc(-c3ccc4oc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3)ncc2c1
InChIInChI=1S/C33H18N4O2/c1-4-10-24-20(7-1)18-34-32(35-24)19-13-16-29-25(17-19)36-33(39-29)37-26-11-5-2-9-23(26)30-27(37)15-14-22-21-8-3-6-12-28(21)38-31(22)30/h1-18H
InChIKeyAGHNQGGXPPAWJY-UHFFFAOYSA-N
XLogP8.43
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502678
5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 167453334
2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979722
5-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163570321
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324769
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166078
5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718

Frequently Asked Questions

What is the IUPAC name of 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 139422404) is 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc2nc(-c3ccc4oc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3)ncc2c1.
What is the InChIKey of 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is AGHNQGGXPPAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4O2/c1-4-10-24-20(7-1)18-34-32(35-24)19-13-16-29-25(17-19)36-33(39-29)37-26-11-5-2-9-23(26)30-27(37)15-14-22-21-8-3-6-12-28(21)38-31(22)30/h1-18H.
What are the key properties of 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 502.53 g/mol, XLogP of 8.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139422404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).