5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole

C57H38N2 — CID 129299674

IUPAC5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc2)CN1
InChIInChI=1S/C57H38N2/c1-3-11-42-33-45(23-21-37(42)9-1)56-49-14-5-6-15-50(49)57(46-24-22-38-10-2-4-12-43(38)34-46)52-35-44(27-30-51(52)56)41-19-17-39(18-20-41)40-25-28-47(29-26-40)59-54-16-8-7-13-48(54)53-36-58-32-31-55(53)59/h1-35,58H,36H2
InChIKeyIWUFZOAGTWXMBX-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.99
Rot. Bonds5

About 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole

5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole (PubChem CID 129299674) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
PubChem CID129299674
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc2)CN1
InChIInChI=1S/C57H38N2/c1-3-11-42-33-45(23-21-37(42)9-1)56-49-14-5-6-15-50(49)57(46-24-22-38-10-2-4-12-43(38)34-46)52-35-44(27-30-51(52)56)41-19-17-39(18-20-41)40-25-28-47(29-26-40)59-54-16-8-7-13-48(54)53-36-58-32-31-55(53)59/h1-35,58H,36H2
InChIKeyIWUFZOAGTWXMBX-UHFFFAOYSA-N
XLogP14.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]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

8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
CID 126605131
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
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
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
CID 126605102
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
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-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
CID 143844229

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole?
The IUPAC name of 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole (CID 129299674) is 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole is C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc2)CN1.
What is the InChIKey of 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole?
The InChIKey is IWUFZOAGTWXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-3-11-42-33-45(23-21-37(42)9-1)56-49-14-5-6-15-50(49)57(46-24-22-38-10-2-4-12-43(38)34-46)52-35-44(27-30-51(52)56)41-19-17-39(18-20-41)40-25-28-47(29-26-40)59-54-16-8-7-13-48(54)53-36-58-32-31-55(53)59/h1-35,58H,36H2.
What are the key properties of 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole?
5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 750.95 g/mol, XLogP of 14.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 129299674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).