2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C51H32N4O — CID 162781026

IUPAC2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)42-31-37(32-43(52-42)34-18-6-2-7-19-34)36-28-29-46(55-44-25-13-10-22-38(44)39-23-11-14-26-45(39)55)41(30-36)51-53-48(35-20-8-3-9-21-35)50-49(54-51)40-24-12-15-27-47(40)56-50/h1-32H
InChIKeyARKKEVASVLRNMT-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162781026) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID162781026
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)42-31-37(32-43(52-42)34-18-6-2-7-19-34)36-28-29-46(55-44-25-13-10-22-38(44)39-23-11-14-26-45(39)55)41(30-36)51-53-48(35-20-8-3-9-21-35)50-49(54-51)40-24-12-15-27-47(40)56-50/h1-32H
InChIKeyARKKEVASVLRNMT-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 147552251
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
9-[4-(4,6-diphenyl-2-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole
CID 174287515
4-phenyl-2-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333967
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
4-carbazol-9-yl-2-[2-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 177271432
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158166248
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
4-(2-carbazol-9-ylphenyl)-2-(3,6-diphenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271581
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 162781026) is 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ARKKEVASVLRNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-16-33(17-5-1)42-31-37(32-43(52-42)34-18-6-2-7-19-34)36-28-29-46(55-44-25-13-10-22-38(44)39-23-11-14-26-45(39)55)41(30-36)51-53-48(35-20-8-3-9-21-35)50-49(54-51)40-24-12-15-27-47(40)56-50/h1-32H.
What are the key properties of 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162781026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).