5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

C44H27N3O — CID 146541875

IUPAC5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)nc4ccccc34)c2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-28(14-4-1)29-15-11-16-30(27-29)41-34-19-7-9-23-37(34)45-44(46-41)36-22-12-21-32-33-25-26-39-40(43(33)48-42(32)36)35-20-8-10-24-38(35)47(39)31-17-5-2-6-18-31/h1-27H
InChIKeyAYWRKQNCAXWYDR-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.63
Rot. Bonds4

About 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146541875) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146541875
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)nc4ccccc34)c2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-28(14-4-1)29-15-11-16-30(27-29)41-34-19-7-9-23-37(34)45-44(46-41)36-22-12-21-32-33-25-26-39-40(43(33)48-42(32)36)35-20-8-10-24-38(35)47(39)31-17-5-2-6-18-31/h1-27H
InChIKeyAYWRKQNCAXWYDR-UHFFFAOYSA-N
XLogP11.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 146541874
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
11-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459569
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
9-phenyl-14-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122437
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
14-(3-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122308
2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606257
6-(3,5-diphenylphenyl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160793015
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459883
15-(4-phenylphenyl)-24-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678353

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 146541875) is 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)nc4ccccc34)c2)cc1.
What is the InChIKey of 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is AYWRKQNCAXWYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-13-28(14-4-1)29-15-11-16-30(27-29)41-34-19-7-9-23-37(34)45-44(46-41)36-22-12-21-32-33-25-26-39-40(43(33)48-42(32)36)35-20-8-10-24-38(35)47(39)31-17-5-2-6-18-31/h1-27H.
What are the key properties of 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 613.72 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146541875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).