1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]

C30H24O — CID 164749259

IUPAC1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]
SMILESCC1=CC2(CC(C)=C1C)c1ccc3cccc4c3c1-c1c(cc3c(C)cccc3c12)O4
InChIInChI=1S/C30H24O/c1-16-7-5-9-21-22(16)13-25-28-27-23(12-11-20-8-6-10-24(31-25)26(20)27)30(29(21)28)14-17(2)19(4)18(3)15-30/h5-14H,15H2,1-4H3
InChIKeyCXXFDEZRRGONTN-UHFFFAOYSA-N
MW400.52 g/mol
LogP8.36
Rot. Bonds

About 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]

1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] (PubChem CID 164749259) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene].

Molecular Properties

Compound Name1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]
PubChem CID164749259
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]
SMILESCC1=CC2(CC(C)=C1C)c1ccc3cccc4c3c1-c1c(cc3c(C)cccc3c12)O4
InChIInChI=1S/C30H24O/c1-16-7-5-9-21-22(16)13-25-28-27-23(12-11-20-8-6-10-24(31-25)26(20)27)30(29(21)28)14-17(2)19(4)18(3)15-30/h5-14H,15H2,1-4H3
InChIKeyCXXFDEZRRGONTN-UHFFFAOYSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] with MolForge

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Related Compounds

1,3,4'-trimethyl-22'-phenylspiro[cyclohexa-1,3-diene-5,10'-hexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene]
CID 164748345
8-carbazol-9-yl-3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 171458885
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 166053292
1,8-dimethylnaphthalene;ethane
CID 91447117
13,14-dimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene
CID 177091322
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
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
4,5-dimethylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161561
4,5,9,9-tetramethyl-2-N,2-N,7-N,7-N-tetra(pyren-1-yl)fluorene-2,7-diamine
CID 59254085
4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590417

Frequently Asked Questions

What is the IUPAC name of 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]?
The IUPAC name of 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] (CID 164749259) is 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene].
What is the SMILES notation for 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]?
The canonical SMILES for 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] is CC1=CC2(CC(C)=C1C)c1ccc3cccc4c3c1-c1c(cc3c(C)cccc3c12)O4.
What is the InChIKey of 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]?
The InChIKey is CXXFDEZRRGONTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-16-7-5-9-21-22(16)13-25-28-27-23(12-11-20-8-6-10-24(31-25)26(20)27)30(29(21)28)14-17(2)19(4)18(3)15-30/h5-14H,15H2,1-4H3.
What are the key properties of 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene]?
1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] has a molecular weight of 400.52 g/mol, XLogP of 8.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2',3',4-tetramethylspiro[22-oxahexacyclo[16.3.1.03,8.09,21.011,20.014,19]docosa-1,3,5,7,9(21),11(20),12,14(19),15,17-decaene-10,5'-cyclohexa-1,3-diene] is sourced from PubChem (CID 164749259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).