5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C48H34N4O — CID 59358242

IUPAC5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1
InChIInChI=1S/C48H34N4O/c1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-30H,1-2H3
InChIKeyCRSZHWUQXMFODV-UHFFFAOYSA-N
MW682.83 g/mol
LogP11.99
Rot. Bonds6

About 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 59358242) has the molecular formula C48H34N4O and a molecular weight of 682.83 g/mol. Its IUPAC name is 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID59358242
Molecular FormulaC48H34N4O
Molecular Weight682.83 g/mol
Exact Mass682.27
IUPAC Name5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1
InChIInChI=1S/C48H34N4O/c1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-30H,1-2H3
InChIKeyCRSZHWUQXMFODV-UHFFFAOYSA-N
XLogP11.99
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 59358242) is 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1.
What is the InChIKey of 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is CRSZHWUQXMFODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O/c1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-30H,1-2H3.
What are the key properties of 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 682.83 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59358242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).