3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole

C48H31N — CID 126620559

IUPAC3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole
SMILESc1ccc2c(c1)cc(-c1ccc(-c3ccc4[nH]cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4c3)cc1)c1ccccc12
InChIInChI=1S/C48H31N/c1-3-11-38-36(9-1)28-44(42-15-7-5-13-40(38)42)32-19-17-31(18-20-32)35-25-26-48-46(27-35)47(30-49-48)34-23-21-33(22-24-34)45-29-37-10-2-4-12-39(37)41-14-6-8-16-43(41)45/h1-30,49H
InChIKeyUJDDFRDASCYTOW-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.45
Rot. Bonds4

About 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole

3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole (PubChem CID 126620559) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole.

Molecular Properties

Compound Name3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole
PubChem CID126620559
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole
SMILESc1ccc2c(c1)cc(-c1ccc(-c3ccc4[nH]cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4c3)cc1)c1ccccc12
InChIInChI=1S/C48H31N/c1-3-11-38-36(9-1)28-44(42-15-7-5-13-40(38)42)32-19-17-31(18-20-32)35-25-26-48-46(27-35)47(30-49-48)34-23-21-33(22-24-34)45-29-37-10-2-4-12-39(37)41-14-6-8-16-43(41)45/h1-30,49H
InChIKeyUJDDFRDASCYTOW-UHFFFAOYSA-N
XLogP13.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
9-(4-iodophenyl)phenanthrene
CID 89083753
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
CID 159255421
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole?
The IUPAC name of 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole (CID 126620559) is 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole.
What is the SMILES notation for 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole?
The canonical SMILES for 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole is c1ccc2c(c1)cc(-c1ccc(-c3ccc4[nH]cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c4c3)cc1)c1ccccc12.
What is the InChIKey of 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole?
The InChIKey is UJDDFRDASCYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-3-11-38-36(9-1)28-44(42-15-7-5-13-40(38)42)32-19-17-31(18-20-32)35-25-26-48-46(27-35)47(30-49-48)34-23-21-33(22-24-34)45-29-37-10-2-4-12-39(37)41-14-6-8-16-43(41)45/h1-30,49H.
What are the key properties of 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole?
3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole has a molecular weight of 621.78 g/mol, XLogP of 13.45, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-phenanthren-9-ylphenyl)-1H-indole is sourced from PubChem (CID 126620559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).