1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole

C34H38N4 — CID 71539632

IUPAC1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
SMILESCC(C)c1nccc2c3ccccc3n(CCCCCCn3c4ccccc4c4ccnc(C(C)C)c43)c12
InChIInChI=1S/C34H38N4/c1-23(2)31-33-27(17-19-35-31)25-13-7-9-15-29(25)37(33)21-11-5-6-12-22-38-30-16-10-8-14-26(30)28-18-20-36-32(24(3)4)34(28)38/h7-10,13-20,23-24H,5-6,11-12,21-22H2,1-4H3
InChIKeySKWDBMSDKIXKSU-UHFFFAOYSA-N
MW502.71 g/mol
LogP9.20
Rot. Bonds9

About 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole

1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole (PubChem CID 71539632) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
PubChem CID71539632
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
SMILESCC(C)c1nccc2c3ccccc3n(CCCCCCn3c4ccccc4c4ccnc(C(C)C)c43)c12
InChIInChI=1S/C34H38N4/c1-23(2)31-33-27(17-19-35-31)25-13-7-9-15-29(25)37(33)21-11-5-6-12-22-38-30-16-10-8-14-26(30)28-18-20-36-32(24(3)4)34(28)38/h7-10,13-20,23-24H,5-6,11-12,21-22H2,1-4H3
InChIKeySKWDBMSDKIXKSU-UHFFFAOYSA-N
XLogP9.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The IUPAC name of 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole (CID 71539632) is 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole is CC(C)c1nccc2c3ccccc3n(CCCCCCn3c4ccccc4c4ccnc(C(C)C)c43)c12.
What is the InChIKey of 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The InChIKey is SKWDBMSDKIXKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-23(2)31-33-27(17-19-35-31)25-13-7-9-15-29(25)37(33)21-11-5-6-12-22-38-30-16-10-8-14-26(30)28-18-20-36-32(24(3)4)34(28)38/h7-10,13-20,23-24H,5-6,11-12,21-22H2,1-4H3.
What are the key properties of 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole has a molecular weight of 502.71 g/mol, XLogP of 9.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-9-[6-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).