3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole

C57H41NO — CID 126620590

IUPAC3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole
SMILESCOc1cccc(-c2ccc(-n3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)cc2)c1
InChIInChI=1S/C57H41NO/c1-59-54-24-14-23-45(37-54)44-25-28-53(29-26-44)58-39-56(52-35-49(42-19-10-4-11-20-42)32-50(36-52)43-21-12-5-13-22-43)55-38-46(27-30-57(55)58)51-33-47(40-15-6-2-7-16-40)31-48(34-51)41-17-8-3-9-18-41/h2-39H,1H3
InChIKeyMXTVVCUXPSQLOO-UHFFFAOYSA-N
MW755.96 g/mol
LogP15.31
Rot. Bonds9

About 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole

3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole (PubChem CID 126620590) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole.

Molecular Properties

Compound Name3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole
PubChem CID126620590
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC Name3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole
SMILESCOc1cccc(-c2ccc(-n3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)cc2)c1
InChIInChI=1S/C57H41NO/c1-59-54-24-14-23-45(37-54)44-25-28-53(29-26-44)58-39-56(52-35-49(42-19-10-4-11-20-42)32-50(36-52)43-21-12-5-13-22-43)55-38-46(27-30-57(55)58)51-33-47(40-15-6-2-7-16-40)31-48(34-51)41-17-8-3-9-18-41/h2-39H,1H3
InChIKeyMXTVVCUXPSQLOO-UHFFFAOYSA-N
XLogP15.31
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole with MolForge

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Related Compounds

1,3,5-tris(3,5-diphenylphenyl)indole
CID 126620752
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole
CID 158939023
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
CID 140898660
1-(5-methyldibenzothiophen-5-ium-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 145261669
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole?
The IUPAC name of 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole (CID 126620590) is 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole.
What is the SMILES notation for 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole?
The canonical SMILES for 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole is COc1cccc(-c2ccc(-n3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)cc2)c1.
What is the InChIKey of 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole?
The InChIKey is MXTVVCUXPSQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-59-54-24-14-23-45(37-54)44-25-28-53(29-26-44)58-39-56(52-35-49(42-19-10-4-11-20-42)32-50(36-52)43-21-12-5-13-22-43)55-38-46(27-30-57(55)58)51-33-47(40-15-6-2-7-16-40)31-48(34-51)41-17-8-3-9-18-41/h2-39H,1H3.
What are the key properties of 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole?
3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole has a molecular weight of 755.96 g/mol, XLogP of 15.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,5-diphenylphenyl)-1-[4-(3-methoxyphenyl)phenyl]indole is sourced from PubChem (CID 126620590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).