15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]

C28H27N — CID 164748815

IUPAC15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]
SMILESCC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21CCCC1
InChIInChI=1S/C28H27N/c1-27(2,3)21-14-20-10-13-29-26-22-15-18-8-4-5-9-19(18)16-23(22)28(11-6-7-12-28)24(17-21)25(20)26/h4-5,8-10,13-17H,6-7,11-12H2,1-3H3
InChIKeySOWHCKKVGDCTIC-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.53
Rot. Bonds

About 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]

15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] (PubChem CID 164748815) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane].

Molecular Properties

Compound Name15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]
PubChem CID164748815
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]
SMILESCC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21CCCC1
InChIInChI=1S/C28H27N/c1-27(2,3)21-14-20-10-13-29-26-22-15-18-8-4-5-9-19(18)16-23(22)28(11-6-7-12-28)24(17-21)25(20)26/h4-5,8-10,13-17H,6-7,11-12H2,1-3H3
InChIKeySOWHCKKVGDCTIC-UHFFFAOYSA-N
XLogP7.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] with MolForge

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Related Compounds

15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748256
15-tert-butylspiro[5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748912
15-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748440
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
10,20-ditert-butyl-15-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2,4,6,8(13),9,11,14,16,18,20-undecaene
CID 162474300
2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 170924915
15-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164748209
15-cyclohexyl-12,12-dimethyl-16,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164748685
12,12,15-trimethyl-7,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748235
10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]
CID 176812453
12,12,15-trimethyl-8,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748285

Frequently Asked Questions

What is the IUPAC name of 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]?
The IUPAC name of 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] (CID 164748815) is 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane].
What is the SMILES notation for 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]?
The canonical SMILES for 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] is CC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21CCCC1.
What is the InChIKey of 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]?
The InChIKey is SOWHCKKVGDCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-27(2,3)21-14-20-10-13-29-26-22-15-18-8-4-5-9-19(18)16-23(22)28(11-6-7-12-28)24(17-21)25(20)26/h4-5,8-10,13-17H,6-7,11-12H2,1-3H3.
What are the key properties of 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]?
15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] has a molecular weight of 377.53 g/mol, XLogP of 7.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane] is sourced from PubChem (CID 164748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).