9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene

C40H32 — CID 159876720

IUPAC9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
SMILESCCCCC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H32/c1-2-3-12-29-25-38-35(39(29)34-20-10-19-33-30-16-7-4-15-28(30)24-37(33)34)21-11-22-36(38)40-31-17-8-5-13-26(31)23-27-14-6-9-18-32(27)40/h4-11,13-23,25,39H,2-3,12,24H2,1H3
InChIKeyRVEWUCBDBOYFPJ-UHFFFAOYSA-N
MW512.70 g/mol
LogP10.95
Rot. Bonds5

About 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene

9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene (PubChem CID 159876720) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene.

Molecular Properties

Compound Name9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
PubChem CID159876720
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
SMILESCCCCC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H32/c1-2-3-12-29-25-38-35(39(29)34-20-10-19-33-30-16-7-4-15-28(30)24-37(33)34)21-11-22-36(38)40-31-17-8-5-13-26(31)23-27-14-6-9-18-32(27)40/h4-11,13-23,25,39H,2-3,12,24H2,1H3
InChIKeyRVEWUCBDBOYFPJ-UHFFFAOYSA-N
XLogP10.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.95
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

CID 172998932
CID 172998932
CID 159310112
CID 159310112
CID 172998837
CID 172998837
3,6-ditert-butyl-1-(4-phenyl-2-propyl-1H-inden-1-yl)-9H-fluorene
CID 157279326
CID 157188034
CID 157188034
1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 172999022
CID 174633409
CID 174633409
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
9-(2,3,4,5-tetrahexyl-9H-fluoren-1-yl)anthracene
CID 141470947
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
CID 174414122
CID 174414122

Frequently Asked Questions

What is the IUPAC name of 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene?
The IUPAC name of 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene (CID 159876720) is 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene.
What is the SMILES notation for 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene?
The canonical SMILES for 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene is CCCCC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene?
The InChIKey is RVEWUCBDBOYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-2-3-12-29-25-38-35(39(29)34-20-10-19-33-30-16-7-4-15-28(30)24-37(33)34)21-11-22-36(38)40-31-17-8-5-13-26(31)23-27-14-6-9-18-32(27)40/h4-11,13-23,25,39H,2-3,12,24H2,1H3.
What are the key properties of 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene?
9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene has a molecular weight of 512.70 g/mol, XLogP of 10.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene is sourced from PubChem (CID 159876720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).