8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

C52H34N4O — CID 167232919

IUPAC8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CC(n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cccc32)=CCC1
InChIInChI=1S/C52H34N4O/c1-4-15-33(16-5-1)49-51-50(54-52(53-49)34-17-6-2-7-18-34)42-32-37(28-30-47(42)57-51)56-43-24-12-10-21-39(43)41-31-35(27-29-45(41)56)38-23-14-26-46-48(38)40-22-11-13-25-44(40)55(46)36-19-8-3-9-20-36/h1-2,4-8,10-32H,3,9H2
InChIKeyVWNWUCWTHYQIAM-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.77
Rot. Bonds5

About 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 167232919) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID167232919
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CC(n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cccc32)=CCC1
InChIInChI=1S/C52H34N4O/c1-4-15-33(16-5-1)49-51-50(54-52(53-49)34-17-6-2-7-18-34)42-32-37(28-30-47(42)57-51)56-43-24-12-10-21-39(43)41-31-35(27-29-45(41)56)38-23-14-26-46-48(38)40-22-11-13-25-44(40)55(46)36-19-8-3-9-20-36/h1-2,4-8,10-32H,3,9H2
InChIKeyVWNWUCWTHYQIAM-UHFFFAOYSA-N
XLogP13.77
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399083
14-(2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidin-8-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 134393745
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592787
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
4-phenyl-2-[8-(3-phenylcarbazol-9-yl)dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 149083793
9-cyclohexa-1,5-dien-1-yl-3-[9-(2-dibenzofuran-4-yl-4-phenylquinazolin-6-yl)dibenzothiophen-2-yl]carbazole
CID 166905213
4-cyclohexa-1,3-dien-1-yl-2-phenyl-8-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 166726568
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
2-(4-benzo[b]carbazol-5-ylphenyl)-4-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146181682

Frequently Asked Questions

What is the IUPAC name of 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (CID 167232919) is 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is C1=CC(n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cccc32)=CCC1.
What is the InChIKey of 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VWNWUCWTHYQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-4-15-33(16-5-1)49-51-50(54-52(53-49)34-17-6-2-7-18-34)42-32-37(28-30-47(42)57-51)56-43-24-12-10-21-39(43)41-31-35(27-29-45(41)56)38-23-14-26-46-48(38)40-22-11-13-25-44(40)55(46)36-19-8-3-9-20-36/h1-2,4-8,10-32H,3,9H2.
What are the key properties of 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 730.87 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 167232919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).