9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene

C35H26 — CID 91435871

IUPAC9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
SMILESCC1CC=Cc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21
InChIInChI=1S/C35H26/c1-23-9-8-12-26-22-28(19-20-29(23)26)35-32-15-6-4-13-30(32)34(31-14-5-7-16-33(31)35)27-18-17-24-10-2-3-11-25(24)21-27/h2-8,10-23H,9H2,1H3
InChIKeyKELAEICVQHNVQS-UHFFFAOYSA-N
MW446.59 g/mol
LogP10.00
Rot. Bonds2

About 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene

9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene (PubChem CID 91435871) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
PubChem CID91435871
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
SMILESCC1CC=Cc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21
InChIInChI=1S/C35H26/c1-23-9-8-12-26-22-28(19-20-29(23)26)35-32-15-6-4-13-30(32)34(31-14-5-7-16-33(31)35)27-18-17-24-10-2-3-11-25(24)21-27/h2-8,10-23H,9H2,1H3
InChIKeyKELAEICVQHNVQS-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 510.00
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-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59413180
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
1,6-dimethyl-1,2-dihydronaphthalene
CID 11171128
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
4-(4-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
CID 134321263
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532

Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene (CID 91435871) is 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene is CC1CC=Cc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.
What is the InChIKey of 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The InChIKey is KELAEICVQHNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26/c1-23-9-8-12-26-22-28(19-20-29(23)26)35-32-15-6-4-13-30(32)34(31-14-5-7-16-33(31)35)27-18-17-24-10-2-3-11-25(24)21-27/h2-8,10-23H,9H2,1H3.
What are the key properties of 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene has a molecular weight of 446.59 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 91435871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).