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

C60H39N — CID 126620677

IUPAC3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-n3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H39N/c1-2-12-40(13-3-1)41-30-33-49(34-31-41)61-39-59(45-28-26-44(27-29-45)57-38-48-15-5-7-17-51(48)53-19-9-11-21-55(53)57)58-36-46(32-35-60(58)61)42-22-24-43(25-23-42)56-37-47-14-4-6-16-50(47)52-18-8-10-20-54(52)56/h1-39H
InChIKeySGHJOHUNPDAAOF-UHFFFAOYSA-N
MW773.98 g/mol
LogP16.58
Rot. Bonds6

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

3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole (PubChem CID 126620677) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole.

Molecular Properties

Compound Name3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
PubChem CID126620677
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC Name3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-n3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C60H39N/c1-2-12-40(13-3-1)41-30-33-49(34-31-41)61-39-59(45-28-26-44(27-29-45)57-38-48-15-5-7-17-51(48)53-19-9-11-21-55(53)57)58-36-46(32-35-60(58)61)42-22-24-43(25-23-42)56-37-47-14-4-6-16-50(47)52-18-8-10-20-54(52)56/h1-39H
InChIKeySGHJOHUNPDAAOF-UHFFFAOYSA-N
XLogP16.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
CID 161483514
1,3,5-tris(3,5-diphenylphenyl)indole
CID 126620752
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
1-(5-methyldibenzothiophen-5-ium-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 145261669
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole?
The IUPAC name of 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole (CID 126620677) is 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole.
What is the SMILES notation for 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole?
The canonical SMILES for 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole is c1ccc(-c2ccc(-n3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole?
The InChIKey is SGHJOHUNPDAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-2-12-40(13-3-1)41-30-33-49(34-31-41)61-39-59(45-28-26-44(27-29-45)57-38-48-15-5-7-17-51(48)53-19-9-11-21-55(53)57)58-36-46(32-35-60(58)61)42-22-24-43(25-23-42)56-37-47-14-4-6-16-50(47)52-18-8-10-20-54(52)56/h1-39H.
What are the key properties of 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole?
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole has a molecular weight of 773.98 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole is sourced from PubChem (CID 126620677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).