9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene

C42H30 — CID 144583897

IUPAC9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C45C=CC=C6C=CC=CC64C5)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H30/c1-28-19-24-38(33-14-3-2-13-32(28)33)40-36-17-6-4-15-34(36)39(35-16-5-7-18-37(35)40)29-20-22-31(23-21-29)42-26-10-12-30-11-8-9-25-41(30,42)27-42/h2-26H,27H2,1H3
InChIKeyOGGPAEVQOZVPOL-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.04
Rot. Bonds3

About 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene

9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene (PubChem CID 144583897) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene
PubChem CID144583897
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C45C=CC=C6C=CC=CC64C5)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H30/c1-28-19-24-38(33-14-3-2-13-32(28)33)40-36-17-6-4-15-34(36)39(35-16-5-7-18-37(35)40)29-20-22-31(23-21-29)42-26-10-12-30-11-8-9-25-41(30,42)27-42/h2-26H,27H2,1H3
InChIKeyOGGPAEVQOZVPOL-UHFFFAOYSA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.04
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

9-[4-(4-methylnaphthalen-1-yl)phenyl]-10-naphthalen-1-ylanthracene;methylsulfanylmethane
CID 145436459
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837110
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
trimethyl-[4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]silane
CID 59861211
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene (CID 144583897) is 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(C45C=CC=C6C=CC=CC64C5)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene?
The InChIKey is OGGPAEVQOZVPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-28-19-24-38(33-14-3-2-13-32(28)33)40-36-17-6-4-15-34(36)39(35-16-5-7-18-37(35)40)29-20-22-31(23-21-29)42-26-10-12-30-11-8-9-25-41(30,42)27-42/h2-26H,27H2,1H3.
What are the key properties of 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene?
9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene has a molecular weight of 534.70 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1H-cyclopropa[j]naphthalen-1a-yl)phenyl]-10-(4-methylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 144583897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).