4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C70H45N3O — CID 146281165

IUPAC4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)c(-c6ccccc6)ccc5c5ccc(-c6ccccc6)c(-c6ccccc6)c54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C70H45N3O/c1-8-24-46(25-9-1)54-40-42-56-57-43-41-55(47-26-10-2-11-27-47)63(51-34-18-6-19-35-51)68(57)73(67(56)62(54)50-32-16-5-17-33-50)66-59(48-28-12-3-13-29-48)44-53(45-60(66)49-30-14-4-15-31-49)64-69-65(58-38-22-23-39-61(58)74-69)72-70(71-64)52-36-20-7-21-37-52/h1-45H
InChIKeyRBWKIIQUTFVDKY-UHFFFAOYSA-N
MW944.15 g/mol
LogP18.81
Rot. Bonds9

About 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 146281165) has the molecular formula C70H45N3O and a molecular weight of 944.15 g/mol. Its IUPAC name is 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID146281165
Molecular FormulaC70H45N3O
Molecular Weight944.15 g/mol
Exact Mass943.36
IUPAC Name4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)c(-c6ccccc6)ccc5c5ccc(-c6ccccc6)c(-c6ccccc6)c54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C70H45N3O/c1-8-24-46(25-9-1)54-40-42-56-57-43-41-55(47-26-10-2-11-27-47)63(51-34-18-6-19-35-51)68(57)73(67(56)62(54)50-32-16-5-17-33-50)66-59(48-28-12-3-13-29-48)44-53(45-60(66)49-30-14-4-15-31-49)64-69-65(58-38-22-23-39-61(58)74-69)72-70(71-64)52-36-20-7-21-37-52/h1-45H
InChIKeyRBWKIIQUTFVDKY-UHFFFAOYSA-N
XLogP18.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3,6-dimethylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146281079
5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146281129
4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146281158
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163864033
12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334385
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 146281165) is 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)c(-c6ccccc6)ccc5c5ccc(-c6ccccc6)c(-c6ccccc6)c54)c(-c4ccccc4)c3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RBWKIIQUTFVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N3O/c1-8-24-46(25-9-1)54-40-42-56-57-43-41-55(47-26-10-2-11-27-47)63(51-34-18-6-19-35-51)68(57)73(67(56)62(54)50-32-16-5-17-33-50)66-59(48-28-12-3-13-29-48)44-53(45-60(66)49-30-14-4-15-31-49)64-69-65(58-38-22-23-39-61(58)74-69)72-70(71-64)52-36-20-7-21-37-52/h1-45H.
What are the key properties of 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 944.15 g/mol, XLogP of 18.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-diphenyl-4-(1,2,7,8-tetraphenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 146281165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).