5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole

C46H52N2 — CID 23132054

IUPAC5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole
SMILESCCCCCCCCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CCCCCCCC)cc2)cc1
InChIInChI=1S/C46H52N2/c1-3-5-7-9-11-13-19-35-25-29-37(30-26-35)47-43-23-17-15-21-39(43)41-34-46-42(33-45(41)47)40-22-16-18-24-44(40)48(46)38-31-27-36(28-32-38)20-14-12-10-8-6-4-2/h15-18,21-34H,3-14,19-20H2,1-2H3
InChIKeyWTTXSCCCXVSQQG-UHFFFAOYSA-N
MW632.94 g/mol
LogP13.69
Rot. Bonds16

About 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole

5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole (PubChem CID 23132054) has the molecular formula C46H52N2 and a molecular weight of 632.94 g/mol. Its IUPAC name is 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole
PubChem CID23132054
Molecular FormulaC46H52N2
Molecular Weight632.94 g/mol
Exact Mass632.41
IUPAC Name5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole
SMILESCCCCCCCCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CCCCCCCC)cc2)cc1
InChIInChI=1S/C46H52N2/c1-3-5-7-9-11-13-19-35-25-29-37(30-26-35)47-43-23-17-15-21-39(43)41-34-46-42(33-45(41)47)40-22-16-18-24-44(40)48(46)38-31-27-36(28-32-38)20-14-12-10-8-6-4-2/h15-18,21-34H,3-14,19-20H2,1-2H3
InChIKeyWTTXSCCCXVSQQG-UHFFFAOYSA-N
XLogP13.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.94
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole (CID 23132054) is 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole is CCCCCCCCc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(CCCCCCCC)cc2)cc1.
What is the InChIKey of 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole?
The InChIKey is WTTXSCCCXVSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52N2/c1-3-5-7-9-11-13-19-35-25-29-37(30-26-35)47-43-23-17-15-21-39(43)41-34-46-42(33-45(41)47)40-22-16-18-24-44(40)48(46)38-31-27-36(28-32-38)20-14-12-10-8-6-4-2/h15-18,21-34H,3-14,19-20H2,1-2H3.
What are the key properties of 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole?
5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole has a molecular weight of 632.94 g/mol, XLogP of 13.69, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(4-octylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 23132054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).