4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]

C32H28O — CID 164749347

IUPAC4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]
SMILESCC1=CC2(OC(C)=C1C)c1cc3ccc(C)cc3c3c1-c1c2ccc2cccc(c12)C3(C)C
InChIInChI=1S/C32H28O/c1-17-10-11-22-15-26-29-28-25(32(26)16-18(2)19(3)20(4)33-32)13-12-21-8-7-9-24(27(21)28)31(5,6)30(29)23(22)14-17/h7-16H,1-6H3
InChIKeyFIYBVDMDUNKYOJ-UHFFFAOYSA-N
MW428.58 g/mol
LogP8.44
Rot. Bonds

About 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]

4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] (PubChem CID 164749347) has the molecular formula C32H28O and a molecular weight of 428.58 g/mol. Its IUPAC name is 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran].

Molecular Properties

Compound Name4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]
PubChem CID164749347
Molecular FormulaC32H28O
Molecular Weight428.58 g/mol
Exact Mass428.21
IUPAC Name4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]
SMILESCC1=CC2(OC(C)=C1C)c1cc3ccc(C)cc3c3c1-c1c2ccc2cccc(c12)C3(C)C
InChIInChI=1S/C32H28O/c1-17-10-11-22-15-26-29-28-25(32(26)16-18(2)19(3)20(4)33-32)13-12-21-8-7-9-24(27(21)28)31(5,6)30(29)23(22)14-17/h7-16H,1-6H3
InChIKeyFIYBVDMDUNKYOJ-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] with MolForge

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Related Compounds

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CID 169280503
16,16-dimethylheptacyclo[15.12.0.02,15.03,12.04,9.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;ethane;propane
CID 91395473
3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
CID 123216847
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
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CID 19858068
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CID 123897654
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145
6'-methyl-1,3-di(pentan-3-yl)-22'-phenylspiro[cyclohexa-1,3-diene-5,10'-hexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1(21),2,4,6,8,11(20),12,14(19),15,17-decaene]
CID 164749221
25,25-dimethyl-N,N-bis(4-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-20-amine
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Frequently Asked Questions

What is the IUPAC name of 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]?
The IUPAC name of 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] (CID 164749347) is 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran].
What is the SMILES notation for 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]?
The canonical SMILES for 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] is CC1=CC2(OC(C)=C1C)c1cc3ccc(C)cc3c3c1-c1c2ccc2cccc(c12)C3(C)C.
What is the InChIKey of 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]?
The InChIKey is FIYBVDMDUNKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O/c1-17-10-11-22-15-26-29-28-25(32(26)16-18(2)19(3)20(4)33-32)13-12-21-8-7-9-24(27(21)28)31(5,6)30(29)23(22)14-17/h7-16H,1-6H3.
What are the key properties of 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran]?
4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] has a molecular weight of 428.58 g/mol, XLogP of 8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4',5',6',22,22-hexamethylspiro[hexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,2'-pyran] is sourced from PubChem (CID 164749347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).