9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole

C34H22N4 — CID 59711258

IUPAC9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)cc1
InChIInChI=1S/C34H22N4/c1-3-7-31-27(5-1)29-17-19-35-21-33(29)37(31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)38-32-8-4-2-6-28(32)30-18-20-36-22-34(30)38/h1-22H
InChIKeyKNQNQTTXCLRAKB-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole

9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole (PubChem CID 59711258) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole
PubChem CID59711258
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)cc1
InChIInChI=1S/C34H22N4/c1-3-7-31-27(5-1)29-17-19-35-21-33(29)37(31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)38-32-8-4-2-6-28(32)30-18-20-36-22-34(30)38/h1-22H
InChIKeyKNQNQTTXCLRAKB-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole (CID 59711258) is 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole is c1ccc2c(c1)c1ccncc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole?
The InChIKey is KNQNQTTXCLRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-7-31-27(5-1)29-17-19-35-21-33(29)37(31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)38-32-8-4-2-6-28(32)30-18-20-36-22-34(30)38/h1-22H.
What are the key properties of 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole?
9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59711258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).