2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole

C62H39N — CID 144756297

IUPAC2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole
SMILESc1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)cc3ccccc32)cc1
InChIInChI=1S/C62H39N/c1-2-17-52(18-3-1)63-59-21-11-8-16-48(59)39-60(63)49-30-32-54-47(37-49)25-24-46-34-44(28-31-53(46)54)45-29-33-57-58(38-45)62(51-27-23-41-13-5-7-15-43(41)36-51)56-20-10-9-19-55(56)61(57)50-26-22-40-12-4-6-14-42(40)35-50/h1-39H
InChIKeyAKJLQFIUWMWZKV-UHFFFAOYSA-N
MW798.00 g/mol
LogP17.22
Rot. Bonds5

About 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole

2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole (PubChem CID 144756297) has the molecular formula C62H39N and a molecular weight of 798.00 g/mol. Its IUPAC name is 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole.

Molecular Properties

Compound Name2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole
PubChem CID144756297
Molecular FormulaC62H39N
Molecular Weight798.00 g/mol
Exact Mass797.31
IUPAC Name2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole
SMILESc1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)cc3ccccc32)cc1
InChIInChI=1S/C62H39N/c1-2-17-52(18-3-1)63-59-21-11-8-16-48(59)39-60(63)49-30-32-54-47(37-49)25-24-46-34-44(28-31-53(46)54)45-29-33-57-58(38-45)62(51-27-23-41-13-5-7-15-43(41)36-51)56-20-10-9-19-55(56)61(57)50-26-22-40-12-4-6-14-42(40)35-50/h1-39H
InChIKeyAKJLQFIUWMWZKV-UHFFFAOYSA-N
XLogP17.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole 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

3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole
CID 143850981
12-[4-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377445
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-naphthalen-2-ylindole
CID 144756284
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole?
The IUPAC name of 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole (CID 144756297) is 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole.
What is the SMILES notation for 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole?
The canonical SMILES for 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole is c1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)cc3ccccc32)cc1.
What is the InChIKey of 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole?
The InChIKey is AKJLQFIUWMWZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N/c1-2-17-52(18-3-1)63-59-21-11-8-16-48(59)39-60(63)49-30-32-54-47(37-49)25-24-46-34-44(28-31-53(46)54)45-29-33-57-58(38-45)62(51-27-23-41-13-5-7-15-43(41)36-51)56-20-10-9-19-55(56)61(57)50-26-22-40-12-4-6-14-42(40)35-50/h1-39H.
What are the key properties of 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole?
2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole has a molecular weight of 798.00 g/mol, XLogP of 17.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylindole is sourced from PubChem (CID 144756297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).