2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline

C40H29N3 — CID 163795489

IUPAC2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(-c2ccc3c(C4C=CC=CC4)c4ccccc4c(-c4ccccc4)c3c2)nc1
InChIInChI=1S/C40H29N3/c1-26-40(43-37-19-11-10-18-36(37)42-26)30-21-23-35(41-25-30)29-20-22-33-34(24-29)39(28-14-6-3-7-15-28)32-17-9-8-16-31(32)38(33)27-12-4-2-5-13-27/h2-12,14-25,27H,13H2,1H3
InChIKeyNAKCGPRQOJTUTO-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.24
Rot. Bonds4

About 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline

2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline (PubChem CID 163795489) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline
PubChem CID163795489
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(-c2ccc3c(C4C=CC=CC4)c4ccccc4c(-c4ccccc4)c3c2)nc1
InChIInChI=1S/C40H29N3/c1-26-40(43-37-19-11-10-18-36(37)42-26)30-21-23-35(41-25-30)29-20-22-33-34(24-29)39(28-14-6-3-7-15-28)32-17-9-8-16-31(32)38(33)27-12-4-2-5-13-27/h2-12,14-25,27H,13H2,1H3
InChIKeyNAKCGPRQOJTUTO-UHFFFAOYSA-N
XLogP10.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline 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

2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 137467005
9-cyclohexa-2,4-dien-1-yl-6-[5-[4-(10-phenylanthracen-9-yl)phenyl]-2-pyridinyl]pyrido[2,3-b]indole
CID 88908847
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
5-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)-1,2,4-triphenylbenzo[e][1]benzothiole
CID 143963714
6-cyclohexa-2,4-dien-1-yl-9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methyl-5-phenyl-4a,10b-dihydro-1,10-phenanthroline
CID 172547606
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
2-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[10-phenyl-9-(4-phenylphenyl)anthracen-2-yl]pyrrole
CID 89144491
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 134407069
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
CID 162392887

Frequently Asked Questions

What is the IUPAC name of 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline?
The IUPAC name of 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline (CID 163795489) is 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline.
What is the SMILES notation for 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline?
The canonical SMILES for 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline is Cc1nc2ccccc2nc1-c1ccc(-c2ccc3c(C4C=CC=CC4)c4ccccc4c(-c4ccccc4)c3c2)nc1.
What is the InChIKey of 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline?
The InChIKey is NAKCGPRQOJTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-26-40(43-37-19-11-10-18-36(37)42-26)30-21-23-35(41-25-30)29-20-22-33-34(24-29)39(28-14-6-3-7-15-28)32-17-9-8-16-31(32)38(33)27-12-4-2-5-13-27/h2-12,14-25,27H,13H2,1H3.
What are the key properties of 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline?
2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline has a molecular weight of 551.69 g/mol, XLogP of 10.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)-3-pyridinyl]-3-methylquinoxaline is sourced from PubChem (CID 163795489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).