2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C104H66N6O2 — CID 159859091

IUPAC2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c34)c2)cc1
InChIInChI=1S/2C52H33N3O/c1-4-16-34(17-5-1)36-20-12-23-39(32-36)48-51-49(54-52(53-48)35-18-6-2-7-19-35)47-41(27-15-31-46(47)56-51)37-21-13-22-38(33-37)42-28-14-29-44-43-26-10-11-30-45(43)55(50(42)44)40-24-8-3-9-25-40;1-4-15-34(16-5-1)36-19-13-22-40(32-36)49-51-50(54-52(53-49)35-17-6-2-7-18-35)48-42(26-14-28-47(48)56-51)39-21-12-20-37(31-39)38-29-30-44-43-25-10-11-27-45(43)55(46(44)33-38)41-23-8-3-9-24-41/h2*1-33H
InChIKeyNQXFGXIZARFFEW-UHFFFAOYSA-N
MW1431.71 g/mol
LogP27.62
Rot. Bonds12

About 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159859091) has the molecular formula C104H66N6O2 and a molecular weight of 1431.71 g/mol. Its IUPAC name is 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159859091
Molecular FormulaC104H66N6O2
Molecular Weight1431.71 g/mol
Exact Mass1430.52
IUPAC Name2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c34)c2)cc1
InChIInChI=1S/2C52H33N3O/c1-4-16-34(17-5-1)36-20-12-23-39(32-36)48-51-49(54-52(53-48)35-18-6-2-7-19-35)47-41(27-15-31-46(47)56-51)37-21-13-22-38(33-37)42-28-14-29-44-43-26-10-11-30-45(43)55(50(42)44)40-24-8-3-9-25-40;1-4-15-34(16-5-1)36-19-13-22-40(32-36)49-51-50(54-52(53-49)35-17-6-2-7-18-35)48-42(26-14-28-47(48)56-51)39-21-12-20-37(31-39)38-29-30-44-43-25-10-11-27-45(43)55(46(44)33-38)41-23-8-3-9-24-41/h2*1-33H
InChIKeyNQXFGXIZARFFEW-UHFFFAOYSA-N
XLogP27.62
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.71
LogP ≤ 527.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

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
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907
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
2,4-diphenyl-9-[4-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159691054
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
8-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592796
2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606257
9-(3-carbazol-9-ylphenyl)-4-(4-isocyanophenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 155601196
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 159859091) is 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3oc3cccc(-c5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c34)c2)cc1.
What is the InChIKey of 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NQXFGXIZARFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3O/c1-4-16-34(17-5-1)36-20-12-23-39(32-36)48-51-49(54-52(53-48)35-18-6-2-7-19-35)47-41(27-15-31-46(47)56-51)37-21-13-22-38(33-37)42-28-14-29-44-43-26-10-11-30-45(43)55(50(42)44)40-24-8-3-9-25-40;1-4-15-34(16-5-1)36-19-13-22-40(32-36)49-51-50(54-52(53-49)35-17-6-2-7-18-35)48-42(26-14-28-47(48)56-51)39-21-12-20-37(31-39)38-29-30-44-43-25-10-11-27-45(43)55(46(44)33-38)41-23-8-3-9-24-41/h2*1-33H.
What are the key properties of 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1431.71 g/mol, XLogP of 27.62, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159859091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).