9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene

C48H30F6 — CID 164933426

IUPAC9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cc2cc(C)cc3c2c(c1)c1c(-c2ccc(C(F)(F)F)cc2)cc2c(cc(-c4ccc(C(F)(F)F)cc4)c4c5cc(C)cc6cc(C)cc(c65)c24)c31
InChIInChI=1S/C48H30F6/c1-23-13-29-15-25(3)19-39-41(29)37(17-23)43-33(27-5-9-31(10-6-27)47(49,50)51)21-36-35(45(39)43)22-34(28-7-11-32(12-8-28)48(52,53)54)44-38-18-24(2)14-30-16-26(4)20-40(42(30)38)46(36)44/h5-22H,1-4H3
InChIKeyLGSMLCWGIHWOAP-UHFFFAOYSA-N
MW720.76 g/mol
LogP15.24
Rot. Bonds2

About 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene

9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 164933426) has the molecular formula C48H30F6 and a molecular weight of 720.76 g/mol. Its IUPAC name is 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
PubChem CID164933426
Molecular FormulaC48H30F6
Molecular Weight720.76 g/mol
Exact Mass720.23
IUPAC Name9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cc2cc(C)cc3c2c(c1)c1c(-c2ccc(C(F)(F)F)cc2)cc2c(cc(-c4ccc(C(F)(F)F)cc4)c4c5cc(C)cc6cc(C)cc(c65)c24)c31
InChIInChI=1S/C48H30F6/c1-23-13-29-15-25(3)19-39-41(29)37(17-23)43-33(27-5-9-31(10-6-27)47(49,50)51)21-36-35(45(39)43)22-34(28-7-11-32(12-8-28)48(52,53)54)44-38-18-24(2)14-30-16-26(4)20-40(42(30)38)46(36)44/h5-22H,1-4H3
InChIKeyLGSMLCWGIHWOAP-UHFFFAOYSA-N
XLogP15.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.76
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene (CID 164933426) is 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene is Cc1cc2cc(C)cc3c2c(c1)c1c(-c2ccc(C(F)(F)F)cc2)cc2c(cc(-c4ccc(C(F)(F)F)cc4)c4c5cc(C)cc6cc(C)cc(c65)c24)c31.
What is the InChIKey of 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is LGSMLCWGIHWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F6/c1-23-13-29-15-25(3)19-39-41(29)37(17-23)43-33(27-5-9-31(10-6-27)47(49,50)51)21-36-35(45(39)43)22-34(28-7-11-32(12-8-28)48(52,53)54)44-38-18-24(2)14-30-16-26(4)20-40(42(30)38)46(36)44/h5-22H,1-4H3.
What are the key properties of 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 720.76 g/mol, XLogP of 15.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 164933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).