9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol

C53H44O2 — CID 70820879

IUPAC9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol
SMILESCC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccccc2C4(O)c2ccccc2)C(C)(C)c2ccccc2-1
InChIInChI=1S/C53H44O2/c1-49(2)36-25-15-14-24-34(36)44-46(49)43-33-23-13-16-26-37(33)50(3,4)47(43)45-35-29-41-42(30-40(35)51(5,6)48(44)45)53(55,32-21-11-8-12-22-32)39-28-18-17-27-38(39)52(41,54)31-19-9-7-10-20-31/h7-30,54-55H,1-6H3
InChIKeyCUFGOWPWQQDSRD-UHFFFAOYSA-N
MW712.93 g/mol
LogP11.49
Rot. Bonds2

About 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol

9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol (PubChem CID 70820879) has the molecular formula C53H44O2 and a molecular weight of 712.93 g/mol. Its IUPAC name is 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol.

Molecular Properties

Compound Name9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol
PubChem CID70820879
Molecular FormulaC53H44O2
Molecular Weight712.93 g/mol
Exact Mass712.33
IUPAC Name9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol
SMILESCC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccccc2C4(O)c2ccccc2)C(C)(C)c2ccccc2-1
InChIInChI=1S/C53H44O2/c1-49(2)36-25-15-14-24-34(36)44-46(49)43-33-23-13-16-26-37(33)50(3,4)47(43)45-35-29-41-42(30-40(35)51(5,6)48(44)45)53(55,32-21-11-8-12-22-32)39-28-18-17-27-38(39)52(41,54)31-19-9-7-10-20-31/h7-30,54-55H,1-6H3
InChIKeyCUFGOWPWQQDSRD-UHFFFAOYSA-N
XLogP11.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.93
LogP ≤ 511.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol with MolForge

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Related Compounds

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7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
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7-bromo-14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175542
7-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175381
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
CID 88998717
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
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4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
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17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725787

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol?
The IUPAC name of 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol (CID 70820879) is 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol.
What is the SMILES notation for 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol?
The canonical SMILES for 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol is CC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccccc2C4(O)c2ccccc2)C(C)(C)c2ccccc2-1.
What is the InChIKey of 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol?
The InChIKey is CUFGOWPWQQDSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44O2/c1-49(2)36-25-15-14-24-34(36)44-46(49)43-33-23-13-16-26-37(33)50(3,4)47(43)45-35-29-41-42(30-40(35)51(5,6)48(44)45)53(55,32-21-11-8-12-22-32)39-28-18-17-27-38(39)52(41,54)31-19-9-7-10-20-31/h7-30,54-55H,1-6H3.
What are the key properties of 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol?
9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol has a molecular weight of 712.93 g/mol, XLogP of 11.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,18,18,35,35-hexamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23(32),25,27,29,33-pentadecaene-24,31-diol is sourced from PubChem (CID 70820879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).