5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole

C41H26N2 — CID 151645202

IUPAC5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3cnccc32)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C41H26N2/c1-2-12-28-25-29(22-21-27(28)11-1)40-31-14-3-5-16-33(31)41(34-17-6-4-15-32(34)40)35-18-8-10-20-38(35)43-37-19-9-7-13-30(37)36-26-42-24-23-39(36)43/h1-26H
InChIKeyQTJCMNSCJUBDCE-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.97
Rot. Bonds3

About 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole

5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole (PubChem CID 151645202) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
PubChem CID151645202
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3cnccc32)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C41H26N2/c1-2-12-28-25-29(22-21-27(28)11-1)40-31-14-3-5-16-33(31)41(34-17-6-4-15-32(34)40)35-18-8-10-20-38(35)43-37-19-9-7-13-30(37)36-26-42-24-23-39(36)43/h1-26H
InChIKeyQTJCMNSCJUBDCE-UHFFFAOYSA-N
XLogP10.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[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

5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 58202927
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 130355744
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480434
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
CID 59372038
5-[3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylphenyl]phenyl]-1-phenylpyrido[4,3-b]indole;9-[2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole;5-[3-[4-(9,10-diphenylanthracen-2-yl)-2-methylphenyl]phenyl]pyrido[4,3-b]indole;9-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole
CID 159877278
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100

Frequently Asked Questions

What is the IUPAC name of 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole (CID 151645202) is 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole is c1ccc(-n2c3ccccc3c3cnccc32)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole?
The InChIKey is QTJCMNSCJUBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-2-12-28-25-29(22-21-27(28)11-1)40-31-14-3-5-16-33(31)41(34-17-6-4-15-32(34)40)35-18-8-10-20-38(35)43-37-19-9-7-13-30(37)36-26-42-24-23-39(36)43/h1-26H.
What are the key properties of 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole?
5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole has a molecular weight of 546.67 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 151645202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).