CID 173488082

C30H43B — CID 173488082

IUPAC—
SMILES[B]c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(C)ccc1-2
InChIInChI=1S/C30H43B/c1-4-6-8-10-12-14-20-30(21-15-13-11-9-7-5-2)28-22-24(3)16-18-26(28)27-19-17-25(31)23-29(27)30/h16-19,22-23H,4-15,20-21H2,1-3H3
InChIKeyDNMLLZZOYGQXSV-UHFFFAOYSA-N
MW414.49 g/mol
LogP8.56
Rot. Bonds14

About CID 173488082

CID 173488082 (PubChem CID 173488082) has the molecular formula C30H43B and a molecular weight of 414.49 g/mol.

Molecular Properties

Compound NameCID 173488082
PubChem CID173488082
Molecular FormulaC30H43B
Molecular Weight414.49 g/mol
Exact Mass414.35
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(C)ccc1-2
InChIInChI=1S/C30H43B/c1-4-6-8-10-12-14-20-30(21-15-13-11-9-7-5-2)28-22-24(3)16-18-26(28)27-19-17-25(31)23-29(27)30/h16-19,22-23H,4-15,20-21H2,1-3H3
InChIKeyDNMLLZZOYGQXSV-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
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tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
CID 58594781
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
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
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499

Frequently Asked Questions

What is the IUPAC name of CID 173488082?
The IUPAC name of CID 173488082 (CID 173488082) is not available.
What is the SMILES notation for CID 173488082?
The canonical SMILES for CID 173488082 is [B]c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(C)ccc1-2.
What is the InChIKey of CID 173488082?
The InChIKey is DNMLLZZOYGQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43B/c1-4-6-8-10-12-14-20-30(21-15-13-11-9-7-5-2)28-22-24(3)16-18-26(28)27-19-17-25(31)23-29(27)30/h16-19,22-23H,4-15,20-21H2,1-3H3.
What are the key properties of CID 173488082?
CID 173488082 has a molecular weight of 414.49 g/mol, XLogP of 8.56, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173488082 is sourced from PubChem (CID 173488082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).