4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene

C36H26 — CID 149209339

IUPAC4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3c4c(ccc3c(-c3ccc5c(c3)CCC=C5)c2c1)C4
InChIInChI=1S/C36H26/c1-22-10-16-30-33(18-22)34(28-13-11-23-6-2-4-8-25(23)19-28)31-17-15-27-21-32(27)36(31)35(30)29-14-12-24-7-3-5-9-26(24)20-29/h2-3,5-7,9-20H,4,8,21H2,1H3
InChIKeyXGGPSLHWOCWNAD-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.65
Rot. Bonds2

About 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene

4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene (PubChem CID 149209339) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene.

Molecular Properties

Compound Name4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
PubChem CID149209339
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3c4c(ccc3c(-c3ccc5c(c3)CCC=C5)c2c1)C4
InChIInChI=1S/C36H26/c1-22-10-16-30-33(18-22)34(28-13-11-23-6-2-4-8-25(23)19-28)31-17-15-27-21-32(27)36(31)35(30)29-14-12-24-7-3-5-9-26(24)20-29/h2-3,5-7,9-20H,4,8,21H2,1H3
InChIKeyXGGPSLHWOCWNAD-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 59.65
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-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
CID 89218133
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
CID 144871928
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene
CID 89139320
7-methyl-1,2-dihydronaphthalene
CID 123252357
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89152058
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 152841086
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene?
The IUPAC name of 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene (CID 149209339) is 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene.
What is the SMILES notation for 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene?
The canonical SMILES for 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene is Cc1ccc2c(-c3ccc4ccccc4c3)c3c4c(ccc3c(-c3ccc5c(c3)CCC=C5)c2c1)C4.
What is the InChIKey of 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene?
The InChIKey is XGGPSLHWOCWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-22-10-16-30-33(18-22)34(28-13-11-23-6-2-4-8-25(23)19-28)31-17-15-27-21-32(27)36(31)35(30)29-14-12-24-7-3-5-9-26(24)20-29/h2-3,5-7,9-20H,4,8,21H2,1H3.
What are the key properties of 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene?
4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene has a molecular weight of 458.60 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene is sourced from PubChem (CID 149209339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).