9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene

C44H36 — CID 87142144

IUPAC9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
SMILESC1=C(CC2CCCCC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C44H36/c1-2-12-29(13-3-1)24-30-25-41-39(43-35-18-8-4-14-31(35)27-32-15-5-9-19-36(32)43)22-23-40(42(41)26-30)44-37-20-10-6-16-33(37)28-34-17-7-11-21-38(34)44/h4-11,14-23,25,27-29H,1-3,12-13,24,26H2
InChIKeyWCOFMMSTAZZATD-UHFFFAOYSA-N
MW564.77 g/mol
LogP12.54
Rot. Bonds4

About 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene

9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene (PubChem CID 87142144) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene.

Molecular Properties

Compound Name9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
PubChem CID87142144
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
SMILESC1=C(CC2CCCCC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21
InChIInChI=1S/C44H36/c1-2-12-29(13-3-1)24-30-25-41-39(43-35-18-8-4-14-31(35)27-32-15-5-9-19-36(32)43)22-23-40(42(41)26-30)44-37-20-10-6-16-33(37)28-34-17-7-11-21-38(34)44/h4-11,14-23,25,27-29H,1-3,12-13,24,26H2
InChIKeyWCOFMMSTAZZATD-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 512.54
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-[7-anthracen-9-yl-2-(cyclopropylmethyl)-1H-inden-4-yl]anthracene
CID 87142370
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
CID 87142380
9-(cycloheptylmethyl)anthracene
CID 173272889
9-(cyclohexylmethyl)anthracene
CID 173272896
1-(cyclononylmethyl)anthracene
CID 173272600
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
4-(cyclopentylmethyl)-2-(2,3-dimethylnaphthalen-1-yl)-1-methylquinolin-1-ium
CID 169322189
1-(cyclohexylmethyl)anthracene-9,10-dione
CID 22447657

Frequently Asked Questions

What is the IUPAC name of 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene?
The IUPAC name of 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene (CID 87142144) is 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene.
What is the SMILES notation for 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene?
The canonical SMILES for 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene is C1=C(CC2CCCCC2)Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21.
What is the InChIKey of 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene?
The InChIKey is WCOFMMSTAZZATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36/c1-2-12-29(13-3-1)24-30-25-41-39(43-35-18-8-4-14-31(35)27-32-15-5-9-19-36(32)43)22-23-40(42(41)26-30)44-37-20-10-6-16-33(37)28-34-17-7-11-21-38(34)44/h4-11,14-23,25,27-29H,1-3,12-13,24,26H2.
What are the key properties of 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene?
9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene has a molecular weight of 564.77 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene is sourced from PubChem (CID 87142144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).