4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole

C67H45NO — CID 139312062

IUPAC4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCn1c2c(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cccc2c2c3oc4ccccc4c3cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C67H45NO/c1-68-65-58(50-33-29-48(30-34-50)56-39-52(44-17-6-2-7-18-44)37-53(40-56)45-19-8-3-9-20-45)26-16-27-60(65)64-66(68)61(43-62-59-25-14-15-28-63(59)69-67(62)64)51-35-31-49(32-36-51)57-41-54(46-21-10-4-11-22-46)38-55(42-57)47-23-12-5-13-24-47/h2-43H,1H3
InChIKeyMTOZLGWJRMPWJF-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.57
Rot. Bonds8

About 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole

4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 139312062) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
PubChem CID139312062
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC Name4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCn1c2c(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cccc2c2c3oc4ccccc4c3cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C67H45NO/c1-68-65-58(50-33-29-48(30-34-50)56-39-52(44-17-6-2-7-18-44)37-53(40-56)45-19-8-3-9-20-45)26-16-27-60(65)64-66(68)61(43-62-59-25-14-15-28-63(59)69-67(62)64)51-35-31-49(32-36-51)57-41-54(46-21-10-4-11-22-46)38-55(42-57)47-23-12-5-13-24-47/h2-43H,1H3
InChIKeyMTOZLGWJRMPWJF-UHFFFAOYSA-N
XLogP18.57
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole 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

4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
CID 139312660
7-methyl-8-phenyl-[1]benzofuro[2,3-b]carbazole
CID 169027641
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176853882
2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853741
12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 134252619
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole (CID 139312062) is 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole is Cn1c2c(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cccc2c2c3oc4ccccc4c3cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21.
What is the InChIKey of 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MTOZLGWJRMPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-68-65-58(50-33-29-48(30-34-50)56-39-52(44-17-6-2-7-18-44)37-53(40-56)45-19-8-3-9-20-45)26-16-27-60(65)64-66(68)61(43-62-59-25-14-15-28-63(59)69-67(62)64)51-35-31-49(32-36-51)57-41-54(46-21-10-4-11-22-46)38-55(42-57)47-23-12-5-13-24-47/h2-43H,1H3.
What are the key properties of 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 880.10 g/mol, XLogP of 18.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139312062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).