9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene

C30H26 — CID 168993997

IUPAC9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene
SMILESCC/C=C(\C)c1cccc2c(-c3ccc4ccccc4c3)c3ccccc3c(C)c12
InChIInChI=1S/C30H26/c1-4-10-20(2)25-15-9-16-28-29(25)21(3)26-13-7-8-14-27(26)30(28)24-18-17-22-11-5-6-12-23(22)19-24/h5-19H,4H2,1-3H3/b20-10+
InChIKeyNCSMKRHPHQOXEI-KEBDBYFISA-N
MW386.54 g/mol
LogP8.93
Rot. Bonds3

About 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene

9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene (PubChem CID 168993997) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene.

Molecular Properties

Compound Name9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene
PubChem CID168993997
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene
SMILESCC/C=C(\C)c1cccc2c(-c3ccc4ccccc4c3)c3ccccc3c(C)c12
InChIInChI=1S/C30H26/c1-4-10-20(2)25-15-9-16-28-29(25)21(3)26-13-7-8-14-27(26)30(28)24-18-17-22-11-5-6-12-23(22)19-24/h5-19H,4H2,1-3H3/b20-10+
InChIKeyNCSMKRHPHQOXEI-KEBDBYFISA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.93
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-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
CID 143046184
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine
CID 88554674
9-methyl-10-phenanthren-3-ylanthracene
CID 123866149
9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
CID 58876001
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene?
The IUPAC name of 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene (CID 168993997) is 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene.
What is the SMILES notation for 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene?
The canonical SMILES for 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene is CC/C=C(\C)c1cccc2c(-c3ccc4ccccc4c3)c3ccccc3c(C)c12.
What is the InChIKey of 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene?
The InChIKey is NCSMKRHPHQOXEI-KEBDBYFISA-N. The full InChI is InChI=1S/C30H26/c1-4-10-20(2)25-15-9-16-28-29(25)21(3)26-13-7-8-14-27(26)30(28)24-18-17-22-11-5-6-12-23(22)19-24/h5-19H,4H2,1-3H3/b20-10+.
What are the key properties of 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene?
9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene has a molecular weight of 386.54 g/mol, XLogP of 8.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene is sourced from PubChem (CID 168993997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).