CID 173480325

C25H41B — CID 173480325

IUPAC—
SMILES[B]C1CCC2CCC(C3CC[C@@H]4C5CCCCC5C(C)(C)C4C3)CC2C1
InChIInChI=1S/C25H41B/c1-25(2)23-6-4-3-5-21(23)22-12-10-18(15-24(22)25)17-8-7-16-9-11-20(26)14-19(16)13-17/h16-24H,3-15H2,1-2H3/t16?,17?,18?,19?,20?,21?,22-,23?,24?/m1/s1
InChIKeyCRQMIPKICHCQJS-LVWGAHHTSA-N
MW352.42 g/mol
LogP7.04
Rot. Bonds1

About CID 173480325

CID 173480325 (PubChem CID 173480325) has the molecular formula C25H41B and a molecular weight of 352.42 g/mol.

Molecular Properties

Compound NameCID 173480325
PubChem CID173480325
Molecular FormulaC25H41B
Molecular Weight352.42 g/mol
Exact Mass352.33
IUPAC Name—
SMILES[B]C1CCC2CCC(C3CC[C@@H]4C5CCCCC5C(C)(C)C4C3)CC2C1
InChIInChI=1S/C25H41B/c1-25(2)23-6-4-3-5-21(23)22-12-10-18(15-24(22)25)17-8-7-16-9-11-20(26)14-19(16)13-17/h16-24H,3-15H2,1-2H3/t16?,17?,18?,19?,20?,21?,22-,23?,24?/m1/s1
InChIKeyCRQMIPKICHCQJS-LVWGAHHTSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)cyclohexyl]-9-ethyl-9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 144582460
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-2-carbonyl chloride
CID 140510781
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694
N-[4-[4-[(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-[4-(2-methoxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]-N-[4-(2-methoxyethyl)cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine
CID 140532936
(4aR)-2-[(2R,4R)-4-[4-[4-[(4aS,4bR,7R,8aR)-7-cyclohexyl-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]cyclohexyl]cyclohexyl]-6-cyclohexyl-1,3-diazinan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 168797194
1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol
CID 118905117
13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane
CID 155365365
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
10-[4-[6-[4-(9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-10-yl)cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-3-yl]cyclohexyl]-9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridine
CID 140807171
2,7-bis(2-cyclohexylethenyl)-9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140510770

Frequently Asked Questions

What is the IUPAC name of CID 173480325?
The IUPAC name of CID 173480325 (CID 173480325) is not available.
What is the SMILES notation for CID 173480325?
The canonical SMILES for CID 173480325 is [B]C1CCC2CCC(C3CC[C@@H]4C5CCCCC5C(C)(C)C4C3)CC2C1.
What is the InChIKey of CID 173480325?
The InChIKey is CRQMIPKICHCQJS-LVWGAHHTSA-N. The full InChI is InChI=1S/C25H41B/c1-25(2)23-6-4-3-5-21(23)22-12-10-18(15-24(22)25)17-8-7-16-9-11-20(26)14-19(16)13-17/h16-24H,3-15H2,1-2H3/t16?,17?,18?,19?,20?,21?,22-,23?,24?/m1/s1.
What are the key properties of CID 173480325?
CID 173480325 has a molecular weight of 352.42 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173480325 is sourced from PubChem (CID 173480325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).