5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole

C42H28N2 — CID 164847706

IUPAC5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-13-17-31(26-30)33-20-7-10-23-38(33)44-40-25-12-9-22-35(40)37-27-41-36(28-42(37)44)34-21-8-11-24-39(34)43(41)32-18-5-2-6-19-32/h1-28H
InChIKeyZWCQEYKZNAGXHA-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

About 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole

5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole (PubChem CID 164847706) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
PubChem CID164847706
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-13-17-31(26-30)33-20-7-10-23-38(33)44-40-25-12-9-22-35(40)37-27-41-36(28-42(37)44)34-21-8-11-24-39(34)43(41)32-18-5-2-6-19-32/h1-28H
InChIKeyZWCQEYKZNAGXHA-UHFFFAOYSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole (CID 164847706) is 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.
What is the InChIKey of 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is ZWCQEYKZNAGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-14-29(15-4-1)30-16-13-17-31(26-30)33-20-7-10-23-38(33)44-40-25-12-9-22-35(40)37-27-41-36(28-42(37)44)34-21-8-11-24-39(34)43(41)32-18-5-2-6-19-32/h1-28H.
What are the key properties of 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole?
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 164847706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).