9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole

C34H24N6 — CID 159979845

IUPAC9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)c1ccncc1n2Cn1c2ccccc2c2ccncc21
InChIInChI=1S/C23H16N4.C11H8N2/c1-3-7-20-16(5-1)18-9-11-24-13-22(18)26(20)15-27-21-8-4-2-6-17(21)19-10-12-25-14-23(19)27;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-14H,15H2;1-7,13H
InChIKeyOFPQCXRMWVPCDQ-UHFFFAOYSA-N
MW516.61 g/mol
LogP7.91
Rot. Bonds2

About 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole

9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole (PubChem CID 159979845) has the molecular formula C34H24N6 and a molecular weight of 516.61 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
PubChem CID159979845
Molecular FormulaC34H24N6
Molecular Weight516.61 g/mol
Exact Mass516.21
IUPAC Name9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)c1ccncc1n2Cn1c2ccccc2c2ccncc21
InChIInChI=1S/C23H16N4.C11H8N2/c1-3-7-20-16(5-1)18-9-11-24-13-22(18)26(20)15-27-21-8-4-2-6-17(21)19-10-12-25-14-23(19)27;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-14H,15H2;1-7,13H
InChIKeyOFPQCXRMWVPCDQ-UHFFFAOYSA-N
XLogP7.91
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole?
The IUPAC name of 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole (CID 159979845) is 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole?
The canonical SMILES for 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)c1ccncc1n2Cn1c2ccccc2c2ccncc21.
What is the InChIKey of 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole?
The InChIKey is OFPQCXRMWVPCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4.C11H8N2/c1-3-7-20-16(5-1)18-9-11-24-13-22(18)26(20)15-27-21-8-4-2-6-17(21)19-10-12-25-14-23(19)27;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-14H,15H2;1-7,13H.
What are the key properties of 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole?
9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole has a molecular weight of 516.61 g/mol, XLogP of 7.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 159979845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).