6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

C25H22 — CID 158149604

IUPAC6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESCCCCc1ccc2c(c1)Cc1ccc3c(ccc4ccccc43)c1-2
InChIInChI=1S/C25H22/c1-2-3-6-17-9-12-22-20(15-17)16-19-11-13-23-21-8-5-4-7-18(21)10-14-24(23)25(19)22/h4-5,7-15H,2-3,6,16H2,1H3
InChIKeyLARQZGKOGKFZKQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.91
Rot. Bonds3

About 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (PubChem CID 158149604) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.

Molecular Properties

Compound Name6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
PubChem CID158149604
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESCCCCc1ccc2c(c1)Cc1ccc3c(ccc4ccccc43)c1-2
InChIInChI=1S/C25H22/c1-2-3-6-17-9-12-22-20(15-17)16-19-11-13-23-21-8-5-4-7-18(21)10-14-24(23)25(19)22/h4-5,7-15H,2-3,6,16H2,1H3
InChIKeyLARQZGKOGKFZKQ-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
CID 160788776
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
3-pentyl-13H-indeno[2,1-a]anthracene
CID 161429921
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
5-butyl-9-(2-ethylnaphthalen-1-yl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58673484
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158

Frequently Asked Questions

What is the IUPAC name of 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The IUPAC name of 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (CID 158149604) is 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.
What is the SMILES notation for 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The canonical SMILES for 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is CCCCc1ccc2c(c1)Cc1ccc3c(ccc4ccccc43)c1-2.
What is the InChIKey of 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The InChIKey is LARQZGKOGKFZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-3-6-17-9-12-22-20(15-17)16-19-11-13-23-21-8-5-4-7-18(21)10-14-24(23)25(19)22/h4-5,7-15H,2-3,6,16H2,1H3.
What are the key properties of 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene has a molecular weight of 322.45 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is sourced from PubChem (CID 158149604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).