4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile

C41H24N4O — CID 142551151

IUPAC4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C41H24N4O/c42-25-26-17-19-27(20-18-26)38-40-39(44-41(43-38)28-9-2-1-3-10-28)34-22-21-30(24-37(34)46-40)29-11-8-12-31(23-29)45-35-15-6-4-13-32(35)33-14-5-7-16-36(33)45/h1-24H
InChIKeyJSCOKMJANSEKEQ-UHFFFAOYSA-N
MW588.67 g/mol
LogP10.35
Rot. Bonds4

About 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile

4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile (PubChem CID 142551151) has the molecular formula C41H24N4O and a molecular weight of 588.67 g/mol. Its IUPAC name is 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile
PubChem CID142551151
Molecular FormulaC41H24N4O
Molecular Weight588.67 g/mol
Exact Mass588.20
IUPAC Name4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C41H24N4O/c42-25-26-17-19-27(20-18-26)38-40-39(44-41(43-38)28-9-2-1-3-10-28)34-22-21-30(24-37(34)46-40)29-11-8-12-31(23-29)45-35-15-6-4-13-32(35)33-14-5-7-16-36(33)45/h1-24H
InChIKeyJSCOKMJANSEKEQ-UHFFFAOYSA-N
XLogP10.35
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907
7-[4-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 172624905
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592740
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592812
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167047673
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
4-phenyl-2-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333838
8-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368
2,4-diphenyl-7-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397380

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile (CID 142551151) is 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc3c2oc2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1.
What is the InChIKey of 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile?
The InChIKey is JSCOKMJANSEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O/c42-25-26-17-19-27(20-18-26)38-40-39(44-41(43-38)28-9-2-1-3-10-28)34-22-21-30(24-37(34)46-40)29-11-8-12-31(23-29)45-35-15-6-4-13-32(35)33-14-5-7-16-36(33)45/h1-24H.
What are the key properties of 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile?
4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile has a molecular weight of 588.67 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-carbazol-9-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 142551151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).