[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol

C25H30S — CID 134368482

IUPAC[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol
SMILESC=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(CS)cc21
InChIInChI=1S/C25H30S/c1-4-6-8-14-25(15-9-7-5-2)23-16-19(3)10-12-21(23)22-13-11-20(18-26)17-24(22)25/h4-5,10-13,16-17,26H,1-2,6-9,14-15,18H2,3H3
InChIKeyQFXNPINQNQMBEZ-UHFFFAOYSA-N
MW362.58 g/mol
LogP7.40
Rot. Bonds9

About [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol

[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol (PubChem CID 134368482) has the molecular formula C25H30S and a molecular weight of 362.58 g/mol. Its IUPAC name is [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol.

Molecular Properties

Compound Name[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol
PubChem CID134368482
Molecular FormulaC25H30S
Molecular Weight362.58 g/mol
Exact Mass362.21
IUPAC Name[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol
SMILESC=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(CS)cc21
InChIInChI=1S/C25H30S/c1-4-6-8-14-25(15-9-7-5-2)23-16-19(3)10-12-21(23)22-13-11-20(18-26)17-24(22)25/h4-5,10-13,16-17,26H,1-2,6-9,14-15,18H2,3H3
InChIKeyQFXNPINQNQMBEZ-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol 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-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
CID 135164402
9,9-bis(hexa-1,3,5-triynyl)-2-methyl-7-[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]fluorene;molecular hydrogen
CID 158079818
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
CID 58151394
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
CID 173488082
CID 173488082
9,9-bis(hex-5-enyl)-2-N,7-N-diphenyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
CID 140895786

Frequently Asked Questions

What is the IUPAC name of [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol?
The IUPAC name of [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol (CID 134368482) is [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol.
What is the SMILES notation for [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol?
The canonical SMILES for [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol is C=CCCCC1(CCCC=C)c2cc(C)ccc2-c2ccc(CS)cc21.
What is the InChIKey of [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol?
The InChIKey is QFXNPINQNQMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30S/c1-4-6-8-14-25(15-9-7-5-2)23-16-19(3)10-12-21(23)22-13-11-20(18-26)17-24(22)25/h4-5,10-13,16-17,26H,1-2,6-9,14-15,18H2,3H3.
What are the key properties of [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol?
[7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol has a molecular weight of 362.58 g/mol, XLogP of 7.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-9,9-bis(pent-4-enyl)fluoren-2-yl]methanethiol is sourced from PubChem (CID 134368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).