2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene

C41H30 — CID 143250486

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
SMILESCC1C=CC(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)=CC1
InChIInChI=1S/C41H30/c1-27-14-16-30(17-15-27)33-22-23-38-39(26-33)41(35-21-19-29-9-3-5-11-32(29)25-35)37-13-7-6-12-36(37)40(38)34-20-18-28-8-2-4-10-31(28)24-34/h2-14,16-27H,15H2,1H3
InChIKeyOYAKRZGGPXBWEV-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.61
Rot. Bonds3

About 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene

2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene (PubChem CID 143250486) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
PubChem CID143250486
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
SMILESCC1C=CC(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)=CC1
InChIInChI=1S/C41H30/c1-27-14-16-30(17-15-27)33-22-23-38-39(26-33)41(35-21-19-29-9-3-5-11-32(29)25-35)37-13-7-6-12-36(37)40(38)34-20-18-28-8-2-4-10-31(28)24-34/h2-14,16-27H,15H2,1H3
InChIKeyOYAKRZGGPXBWEV-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
CID 167223460
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene (CID 143250486) is 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene is CC1C=CC(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is OYAKRZGGPXBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-27-14-16-30(17-15-27)33-22-23-38-39(26-33)41(35-21-19-29-9-3-5-11-32(29)25-35)37-13-7-6-12-36(37)40(38)34-20-18-28-8-2-4-10-31(28)24-34/h2-14,16-27H,15H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene?
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 522.69 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 143250486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).