2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline

C41H29N3 — CID 164771460

IUPAC2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
SMILESCc1cc(-c2c3ccccc3c(-c3cccnc3)c3ccccc23)c(C)cc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C41H29N3/c1-26-24-35(41-40(28-13-4-3-5-14-28)43-36-20-10-11-21-37(36)44-41)27(2)23-34(26)39-32-18-8-6-16-30(32)38(29-15-12-22-42-25-29)31-17-7-9-19-33(31)39/h3-25H,1-2H3
InChIKeyGNAMEODBGNOFHD-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.62
Rot. Bonds4

About 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline

2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline (PubChem CID 164771460) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
PubChem CID164771460
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
SMILESCc1cc(-c2c3ccccc3c(-c3cccnc3)c3ccccc23)c(C)cc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C41H29N3/c1-26-24-35(41-40(28-13-4-3-5-14-28)43-36-20-10-11-21-37(36)44-41)27(2)23-34(26)39-32-18-8-6-16-30(32)38(29-15-12-22-42-25-29)31-17-7-9-19-33(31)39/h3-25H,1-2H3
InChIKeyGNAMEODBGNOFHD-UHFFFAOYSA-N
XLogP10.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline
CID 161175123
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
CID 164771442
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline?
The IUPAC name of 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline (CID 164771460) is 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline?
The canonical SMILES for 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline is Cc1cc(-c2c3ccccc3c(-c3cccnc3)c3ccccc23)c(C)cc1-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline?
The InChIKey is GNAMEODBGNOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-26-24-35(41-40(28-13-4-3-5-14-28)43-36-20-10-11-21-37(36)44-41)27(2)23-34(26)39-32-18-8-6-16-30(32)38(29-15-12-22-42-25-29)31-17-7-9-19-33(31)39/h3-25H,1-2H3.
What are the key properties of 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline?
2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline has a molecular weight of 563.70 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 164771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).