12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole

C44H32N2O — CID 90085340

IUPAC12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole
SMILESCc1ccc(Oc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(C)c7)c6c54)c3)cc2)cc1
InChIInChI=1S/C44H32N2O/c1-29-17-21-35(22-18-29)47-36-23-19-31(20-24-36)32-10-8-12-34(28-32)46-42-16-6-4-14-38(42)40-26-25-39-37-13-3-5-15-41(37)45(43(39)44(40)46)33-11-7-9-30(2)27-33/h3-28H,1-2H3
InChIKeyFIUFLANRVZMWPQ-UHFFFAOYSA-N
MW604.75 g/mol
LogP11.96
Rot. Bonds5

About 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole

12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole (PubChem CID 90085340) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole
PubChem CID90085340
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole
SMILESCc1ccc(Oc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(C)c7)c6c54)c3)cc2)cc1
InChIInChI=1S/C44H32N2O/c1-29-17-21-35(22-18-29)47-36-23-19-31(20-24-36)32-10-8-12-34(28-32)46-42-16-6-4-14-38(42)40-26-25-39-37-13-3-5-15-41(37)45(43(39)44(40)46)33-11-7-9-30(2)27-33/h3-28H,1-2H3
InChIKeyFIUFLANRVZMWPQ-UHFFFAOYSA-N
XLogP11.96
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]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 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole (CID 90085340) is 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole is Cc1ccc(Oc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(C)c7)c6c54)c3)cc2)cc1.
What is the InChIKey of 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole?
The InChIKey is FIUFLANRVZMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-29-17-21-35(22-18-29)47-36-23-19-31(20-24-36)32-10-8-12-34(28-32)46-42-16-6-4-14-38(42)40-26-25-39-37-13-3-5-15-41(37)45(43(39)44(40)46)33-11-7-9-30(2)27-33/h3-28H,1-2H3.
What are the key properties of 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole?
12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole has a molecular weight of 604.75 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4-(4-methylphenoxy)phenyl]phenyl]-11-(3-methylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 90085340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).