1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole

C43H38Cl2N4 — CID 71716732

IUPAC1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole
SMILESClc1ccccc1-c1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(-c5ccccc5Cl)c43)c12
InChIInChI=1S/C43H38Cl2N4/c44-36-20-10-6-18-34(36)40-42-32(24-26-46-40)30-16-8-12-22-38(30)48(42)28-14-4-2-1-3-5-15-29-49-39-23-13-9-17-31(39)33-25-27-47-41(43(33)49)35-19-7-11-21-37(35)45/h6-13,16-27H,1-5,14-15,28-29H2
InChIKeyOCKHCTBSOYVMJO-UHFFFAOYSA-N
MW681.71 g/mol
LogP12.76
Rot. Bonds12

About 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole

1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole (PubChem CID 71716732) has the molecular formula C43H38Cl2N4 and a molecular weight of 681.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole
PubChem CID71716732
Molecular FormulaC43H38Cl2N4
Molecular Weight681.71 g/mol
Exact Mass680.25
IUPAC Name1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole
SMILESClc1ccccc1-c1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(-c5ccccc5Cl)c43)c12
InChIInChI=1S/C43H38Cl2N4/c44-36-20-10-6-18-34(36)40-42-32(24-26-46-40)30-16-8-12-22-38(30)48(42)28-14-4-2-1-3-5-15-29-49-39-23-13-9-17-31(39)33-25-27-47-41(43(33)49)35-19-7-11-21-37(35)45/h6-13,16-27H,1-5,14-15,28-29H2
InChIKeyOCKHCTBSOYVMJO-UHFFFAOYSA-N
XLogP12.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.71
LogP ≤ 512.76
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-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole?
The IUPAC name of 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole (CID 71716732) is 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole is Clc1ccccc1-c1nccc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4ccnc(-c5ccccc5Cl)c43)c12.
What is the InChIKey of 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole?
The InChIKey is OCKHCTBSOYVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38Cl2N4/c44-36-20-10-6-18-34(36)40-42-32(24-26-46-40)30-16-8-12-22-38(30)48(42)28-14-4-2-1-3-5-15-29-49-39-23-13-9-17-31(39)33-25-27-47-41(43(33)49)35-19-7-11-21-37(35)45/h6-13,16-27H,1-5,14-15,28-29H2.
What are the key properties of 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole?
1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole has a molecular weight of 681.71 g/mol, XLogP of 12.76, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-9-[9-[1-(2-chlorophenyl)pyrido[3,4-b]indol-9-yl]nonyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71716732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).