7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]

C32H29N — CID 164819376

IUPAC7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
SMILESCC1CC2CCC3(c4ccccc4-c4cc5[nH]c6cc7ccccc7cc6c5cc43)C(C1)C2
InChIInChI=1S/C32H29N/c1-19-12-20-10-11-32(23(13-19)14-20)28-9-5-4-8-24(28)25-18-31-27(17-29(25)32)26-15-21-6-2-3-7-22(21)16-30(26)33-31/h2-9,15-20,23,33H,10-14H2,1H3
InChIKeyRCGOJOGIRAFELH-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.59
Rot. Bonds

About 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]

7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] (PubChem CID 164819376) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane].

Molecular Properties

Compound Name7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
PubChem CID164819376
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
SMILESCC1CC2CCC3(c4ccccc4-c4cc5[nH]c6cc7ccccc7cc6c5cc43)C(C1)C2
InChIInChI=1S/C32H29N/c1-19-12-20-10-11-32(23(13-19)14-20)28-9-5-4-8-24(28)25-18-31-27(17-29(25)32)26-15-21-6-2-3-7-22(21)16-30(26)33-31/h2-9,15-20,23,33H,10-14H2,1H3
InChIKeyRCGOJOGIRAFELH-UHFFFAOYSA-N
XLogP8.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] with MolForge

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Related Compounds

2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 166808088
N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 164819543
N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
CID 164819461
7-methyl-1'-(3-nitronaphthalen-2-yl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819440
4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819571
4,4,5,5-tetramethyl-2-(7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-1,3,2-dioxaborolane
CID 164819559
12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]
CID 164819456
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819532
24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]
CID 164819451
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
CID 164819418
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
CID 67472219
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182

Frequently Asked Questions

What is the IUPAC name of 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]?
The IUPAC name of 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] (CID 164819376) is 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane].
What is the SMILES notation for 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]?
The canonical SMILES for 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] is CC1CC2CCC3(c4ccccc4-c4cc5[nH]c6cc7ccccc7cc6c5cc43)C(C1)C2.
What is the InChIKey of 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]?
The InChIKey is RCGOJOGIRAFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-19-12-20-10-11-32(23(13-19)14-20)28-9-5-4-8-24(28)25-18-31-27(17-29(25)32)26-15-21-6-2-3-7-22(21)16-30(26)33-31/h2-9,15-20,23,33H,10-14H2,1H3.
What are the key properties of 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]?
7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] has a molecular weight of 427.59 g/mol, XLogP of 8.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane] is sourced from PubChem (CID 164819376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).