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

C42H28N2 — CID 168727773

IUPAC3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4ccccc4)cc3n5-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-4-13-29(14-5-1)31-17-12-20-34(25-31)44-39-22-11-10-21-35(39)37-27-41-38(28-42(37)44)36-24-23-32(30-15-6-2-7-16-30)26-40(36)43(41)33-18-8-3-9-19-33/h1-28H
InChIKeyVLBGBLVDECBREE-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

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

3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 168727773) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID168727773
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4ccccc4)cc3n5-c3ccccc3)c2)cc1
InChIInChI=1S/C42H28N2/c1-4-13-29(14-5-1)31-17-12-20-34(25-31)44-39-22-11-10-21-35(39)37-27-41-38(28-42(37)44)36-24-23-32(30-15-6-2-7-16-30)26-40(36)43(41)33-18-8-3-9-19-33/h1-28H
InChIKeyVLBGBLVDECBREE-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 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole (CID 168727773) is 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4ccccc4)cc3n5-c3ccccc3)c2)cc1.
What is the InChIKey of 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is VLBGBLVDECBREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-13-29(14-5-1)31-17-12-20-34(25-31)44-39-22-11-10-21-35(39)37-27-41-38(28-42(37)44)36-24-23-32(30-15-6-2-7-16-30)26-40(36)43(41)33-18-8-3-9-19-33/h1-28H.
What are the key properties of 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
3,5-diphenyl-11-(3-phenylphenyl)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 3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 168727773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).