11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C38H23N3O — CID 126580313

IUPAC11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-2-11-24(12-3-1)37-29-17-4-7-18-32(29)39-38(40-37)25-13-10-14-26(21-25)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36/h1-23H
InChIKeyWWNYFJXYTVPHLR-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

About 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 126580313) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID126580313
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3O/c1-2-11-24(12-3-1)37-29-17-4-7-18-32(29)39-38(40-37)25-13-10-14-26(21-25)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36/h1-23H
InChIKeyWWNYFJXYTVPHLR-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630887
11-[3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630945
15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
7-[4-[2,6-bis[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-[3-[2,4-bis[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 159872734
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631957
5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 126580313) is 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)nc3ccccc23)cc1.
What is the InChIKey of 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is WWNYFJXYTVPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-11-24(12-3-1)37-29-17-4-7-18-32(29)39-38(40-37)25-13-10-14-26(21-25)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36/h1-23H.
What are the key properties of 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 537.62 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 126580313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).