12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

C64H50 — CID 59147761

IUPAC12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESCC1(C)c2ccc3ccc(-c4ccc5ccc6c7c5c4C(C)(C)c4ccc5ccc(-c8ccccc8)c(c5c4-7)C6(C)C)c4c3c2-c2c(ccc3ccc(-c5ccccc5)c1c23)C4(C)C
InChIInChI=1S/C64H50/c1-61(2)45-31-25-39-21-29-43(59-51(39)55(45)53-47(63(59,5)6)33-23-37-19-27-41(57(61)49(37)53)35-15-11-9-12-16-35)44-30-22-40-26-32-46-56-52(40)60(44)64(7,8)48-34-24-38-20-28-42(36-17-13-10-14-18-36)58(62(46,3)4)50(38)54(48)56/h9-34H,1-8H3
InChIKeyNZHWPAXITLKROT-UHFFFAOYSA-N
MW819.10 g/mol
LogP17.19
Rot. Bonds3

About 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (PubChem CID 59147761) has the molecular formula C64H50 and a molecular weight of 819.10 g/mol. Its IUPAC name is 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.

Molecular Properties

Compound Name12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
PubChem CID59147761
Molecular FormulaC64H50
Molecular Weight819.10 g/mol
Exact Mass818.39
IUPAC Name12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESCC1(C)c2ccc3ccc(-c4ccc5ccc6c7c5c4C(C)(C)c4ccc5ccc(-c8ccccc8)c(c5c4-7)C6(C)C)c4c3c2-c2c(ccc3ccc(-c5ccccc5)c1c23)C4(C)C
InChIInChI=1S/C64H50/c1-61(2)45-31-25-39-21-29-43(59-51(39)55(45)53-47(63(59,5)6)33-23-37-19-27-41(57(61)49(37)53)35-15-11-9-12-16-35)44-30-22-40-26-32-46-56-52(40)60(44)64(7,8)48-34-24-38-20-28-42(36-17-13-10-14-18-36)58(62(46,3)4)50(38)54(48)56/h9-34H,1-8H3
InChIKeyNZHWPAXITLKROT-UHFFFAOYSA-N
XLogP17.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The IUPAC name of 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (CID 59147761) is 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.
What is the SMILES notation for 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The canonical SMILES for 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is CC1(C)c2ccc3ccc(-c4ccc5ccc6c7c5c4C(C)(C)c4ccc5ccc(-c8ccccc8)c(c5c4-7)C6(C)C)c4c3c2-c2c(ccc3ccc(-c5ccccc5)c1c23)C4(C)C.
What is the InChIKey of 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The InChIKey is NZHWPAXITLKROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50/c1-61(2)45-31-25-39-21-29-43(59-51(39)55(45)53-47(63(59,5)6)33-23-37-19-27-41(57(61)49(37)53)35-15-11-9-12-16-35)44-30-22-40-26-32-46-56-52(40)60(44)64(7,8)48-34-24-38-20-28-42(36-17-13-10-14-18-36)58(62(46,3)4)50(38)54(48)56/h9-34H,1-8H3.
What are the key properties of 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene has a molecular weight of 819.10 g/mol, XLogP of 17.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is sourced from PubChem (CID 59147761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).