2,7-bis(1-methylcyclohexyl)anthracene

C28H34 — CID 58371033

IUPAC2,7-bis(1-methylcyclohexyl)anthracene
SMILESCC1(c2ccc3cc4ccc(C5(C)CCCCC5)cc4cc3c2)CCCCC1
InChIInChI=1S/C28H34/c1-27(13-5-3-6-14-27)25-11-9-21-17-22-10-12-26(20-24(22)18-23(21)19-25)28(2)15-7-4-8-16-28/h9-12,17-20H,3-8,13-16H2,1-2H3
InChIKeyAKKDTIJZXOOOHM-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.44
Rot. Bonds2

About 2,7-bis(1-methylcyclohexyl)anthracene

2,7-bis(1-methylcyclohexyl)anthracene (PubChem CID 58371033) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2,7-bis(1-methylcyclohexyl)anthracene.

Molecular Properties

Compound Name2,7-bis(1-methylcyclohexyl)anthracene
PubChem CID58371033
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name2,7-bis(1-methylcyclohexyl)anthracene
SMILESCC1(c2ccc3cc4ccc(C5(C)CCCCC5)cc4cc3c2)CCCCC1
InChIInChI=1S/C28H34/c1-27(13-5-3-6-14-27)25-11-9-21-17-22-10-12-26(20-24(22)18-23(21)19-25)28(2)15-7-4-8-16-28/h9-12,17-20H,3-8,13-16H2,1-2H3
InChIKeyAKKDTIJZXOOOHM-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.44
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-(1-methylcyclopropyl)naphthalene
CID 10511657
6-(1-methylcyclopentyl)-1,2-benzoxazole
CID 166997673
azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
methane;(1-methylcyclopentyl)benzene
CID 143499824
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
(4-methoxyphenyl)-[4-[4-(1-methylcyclohexyl)phenoxy]phenyl]methanone
CID 59693453
3-(1-methylcyclopentyl)benzonitrile
CID 23371913
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride
CID 53318503
1-(1-naphthalen-2-ylcyclohexyl)propan-1-amine
CID 91217269

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(1-methylcyclohexyl)anthracene?
The IUPAC name of 2,7-bis(1-methylcyclohexyl)anthracene (CID 58371033) is 2,7-bis(1-methylcyclohexyl)anthracene.
What is the SMILES notation for 2,7-bis(1-methylcyclohexyl)anthracene?
The canonical SMILES for 2,7-bis(1-methylcyclohexyl)anthracene is CC1(c2ccc3cc4ccc(C5(C)CCCCC5)cc4cc3c2)CCCCC1.
What is the InChIKey of 2,7-bis(1-methylcyclohexyl)anthracene?
The InChIKey is AKKDTIJZXOOOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-27(13-5-3-6-14-27)25-11-9-21-17-22-10-12-26(20-24(22)18-23(21)19-25)28(2)15-7-4-8-16-28/h9-12,17-20H,3-8,13-16H2,1-2H3.
What are the key properties of 2,7-bis(1-methylcyclohexyl)anthracene?
2,7-bis(1-methylcyclohexyl)anthracene has a molecular weight of 370.58 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(1-methylcyclohexyl)anthracene is sourced from PubChem (CID 58371033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).