3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]

C54H66 — CID 168815276

IUPAC3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
SMILESCc1cc(C)c2c(C)cc3c(c2c1)C1(CC(C2CCCCC2)C(C(C)C)C(C2CCCCC2)C1)c1ccc2c(c1-3)C(C)(C)C1=C2C(C)(C)c2ccccc21
InChIInChI=1S/C54H66/c1-31(2)45-41(35-18-12-10-13-19-35)29-54(30-42(45)36-20-14-11-15-21-36)44-25-24-38-49(53(8,9)50-37-22-16-17-23-43(37)52(6,7)51(38)50)47(44)40-28-34(5)46-33(4)26-32(3)27-39(46)48(40)54/h16-17,22-28,31,35-36,41-42,45H,10-15,18-21,29-30H2,1-9H3
InChIKeySWTFFVBNAVXVTR-UHFFFAOYSA-N
MW715.12 g/mol
LogP14.98
Rot. Bonds3

About 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]

3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] (PubChem CID 168815276) has the molecular formula C54H66 and a molecular weight of 715.12 g/mol. Its IUPAC name is 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene].

Molecular Properties

Compound Name3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
PubChem CID168815276
Molecular FormulaC54H66
Molecular Weight715.12 g/mol
Exact Mass714.52
IUPAC Name3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
SMILESCc1cc(C)c2c(C)cc3c(c2c1)C1(CC(C2CCCCC2)C(C(C)C)C(C2CCCCC2)C1)c1ccc2c(c1-3)C(C)(C)C1=C2C(C)(C)c2ccccc21
InChIInChI=1S/C54H66/c1-31(2)45-41(35-18-12-10-13-19-35)29-54(30-42(45)36-20-14-11-15-21-36)44-25-24-38-49(53(8,9)50-37-22-16-17-23-43(37)52(6,7)51(38)50)47(44)40-28-34(5)46-33(4)26-32(3)27-39(46)48(40)54/h16-17,22-28,31,35-36,41-42,45H,10-15,18-21,29-30H2,1-9H3
InChIKeySWTFFVBNAVXVTR-UHFFFAOYSA-N
XLogP14.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.12
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] with MolForge

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Related Compounds

1,3,3',3',11',11',21',23',25'-nonamethylspiro[cyclohexa-1,3-diene-5,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
CID 168815153
2,4-dicyclohexyl-3',3',21',23',25'-pentamethyl-3,7'-di(propan-2-yl)spiro[cyclobutane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene]
CID 168815282
2',4'-dicyclohexyl-3,3,21,23,25-pentamethyl-7-(2-methylpropyl)-3'-propan-2-ylspiro[11-oxaheptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5(10),6,8,14,18(27),19,21,23,25-dodecaene-17,1'-cyclobutane]
CID 168815175
3',3',11',11',25'-pentamethyl-1,3-di(pentan-3-yl)spiro[cyclohexa-1,3-diene-5,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
CID 168815761
12',12',21',23'-tetramethyl-1,2,3-tri(propan-2-yl)spiro[cyclohexene-5,17'-heptacyclo[14.11.0.02,13.03,11.05,10.018,27.019,24]heptacosa-1(16),2(13),3(11),5,7,9,14,18(27),19,21,23,25-dodecaene]
CID 168815256
6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
CID 174314025
12-(10-fluoranthen-3-ylanthracen-9-yl)-9,9,17,17-tetramethylhexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 90923293
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium
CID 167354370
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
N,N-bis(2,4-dimethylphenyl)-3,3,11,11-tetramethylpentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaen-14-amine;ethane
CID 145100492
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002

Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]?
The IUPAC name of 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] (CID 168815276) is 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene].
What is the SMILES notation for 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]?
The canonical SMILES for 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] is Cc1cc(C)c2c(C)cc3c(c2c1)C1(CC(C2CCCCC2)C(C(C)C)C(C2CCCCC2)C1)c1ccc2c(c1-3)C(C)(C)C1=C2C(C)(C)c2ccccc21.
What is the InChIKey of 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]?
The InChIKey is SWTFFVBNAVXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H66/c1-31(2)45-41(35-18-12-10-13-19-35)29-54(30-42(45)36-20-14-11-15-21-36)44-25-24-38-49(53(8,9)50-37-22-16-17-23-43(37)52(6,7)51(38)50)47(44)40-28-34(5)46-33(4)26-32(3)27-39(46)48(40)54/h16-17,22-28,31,35-36,41-42,45H,10-15,18-21,29-30H2,1-9H3.
What are the key properties of 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]?
3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] has a molecular weight of 715.12 g/mol, XLogP of 14.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclohexyl-3',3',11',11',21',23',25'-heptamethyl-4-propan-2-ylspiro[cyclohexane-1,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene] is sourced from PubChem (CID 168815276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).