1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene

C38H30 — CID 172999022

IUPAC1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene
SMILESCCC(C)C1=Cc2c(-c3ccc4c5c(cccc35)C=C4)cccc2C1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C38H30/c1-3-23(2)34-22-36-29(30-20-19-25-18-17-24-10-6-14-31(30)37(24)25)13-8-16-33(36)38(34)32-15-7-12-28-27-11-5-4-9-26(27)21-35(28)32/h4-20,22-23,38H,3,21H2,1-2H3
InChIKeyVXTMMGOKCDHJHB-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.14
Rot. Bonds4

About 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene

1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene (PubChem CID 172999022) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene
PubChem CID172999022
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene
SMILESCCC(C)C1=Cc2c(-c3ccc4c5c(cccc35)C=C4)cccc2C1c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C38H30/c1-3-23(2)34-22-36-29(30-20-19-25-18-17-24-10-6-14-31(30)37(24)25)13-8-16-33(36)38(34)32-15-7-12-28-27-11-5-4-9-26(27)21-35(28)32/h4-20,22-23,38H,3,21H2,1-2H3
InChIKeyVXTMMGOKCDHJHB-UHFFFAOYSA-N
XLogP10.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
CID 159876720
CID 172998874
CID 172998874
CID 159310112
CID 159310112
5-acenaphthylen-5-ylacenaphthylene
CID 14931397
CID 174633409
CID 174633409
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
CID 172998932
CID 172998932
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium
CID 173264324
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864

Frequently Asked Questions

What is the IUPAC name of 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene?
The IUPAC name of 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene (CID 172999022) is 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene.
What is the SMILES notation for 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene?
The canonical SMILES for 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene is CCC(C)C1=Cc2c(-c3ccc4c5c(cccc35)C=C4)cccc2C1c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene?
The InChIKey is VXTMMGOKCDHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-3-23(2)34-22-36-29(30-20-19-25-18-17-24-10-6-14-31(30)37(24)25)13-8-16-33(36)38(34)32-15-7-12-28-27-11-5-4-9-26(27)21-35(28)32/h4-20,22-23,38H,3,21H2,1-2H3.
What are the key properties of 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene?
1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene has a molecular weight of 486.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acenaphthylen-5-yl-2-butan-2-yl-1H-inden-1-yl)-9H-fluorene is sourced from PubChem (CID 172999022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).