5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C37H36N4 — CID 147714064

IUPAC5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(C)CC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)C(C)C
InChIInChI=1S/C37H36N4/c1-24(2)19-27(25(3)4)20-26-21-28(40-32-13-7-5-11-30(32)36-34(40)15-9-17-38-36)23-29(22-26)41-33-14-8-6-12-31(33)37-35(41)16-10-18-39-37/h5-18,21-25,27H,19-20H2,1-4H3
InChIKeyGVGZSFYSZOCFRL-UHFFFAOYSA-N
MW536.72 g/mol
LogP9.53
Rot. Bonds7

About 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 147714064) has the molecular formula C37H36N4 and a molecular weight of 536.72 g/mol. Its IUPAC name is 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID147714064
Molecular FormulaC37H36N4
Molecular Weight536.72 g/mol
Exact Mass536.29
IUPAC Name5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(C)CC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)C(C)C
InChIInChI=1S/C37H36N4/c1-24(2)19-27(25(3)4)20-26-21-28(40-32-13-7-5-11-30(32)36-34(40)15-9-17-38-36)23-29(22-26)41-33-14-8-6-12-31(33)37-35(41)16-10-18-39-37/h5-18,21-25,27H,19-20H2,1-4H3
InChIKeyGVGZSFYSZOCFRL-UHFFFAOYSA-N
XLogP9.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 147714064) is 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CC(C)CC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)C(C)C.
What is the InChIKey of 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is GVGZSFYSZOCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N4/c1-24(2)19-27(25(3)4)20-26-21-28(40-32-13-7-5-11-30(32)36-34(40)15-9-17-38-36)23-29(22-26)41-33-14-8-6-12-31(33)37-35(41)16-10-18-39-37/h5-18,21-25,27H,19-20H2,1-4H3.
What are the key properties of 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 536.72 g/mol, XLogP of 9.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 147714064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).