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]

C36H27N — CID 164748256

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-12,9'-fluorene]
SMILESCC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H27N/c1-35(2,3)25-18-24-16-17-37-34-28-19-22-10-4-5-11-23(22)20-31(28)36(32(21-25)33(24)34)29-14-8-6-12-26(29)27-13-7-9-15-30(27)36/h4-21H,1-3H3
InChIKeyPEAPFQYKVXZSEJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.03
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-12,9'-fluorene]

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] (PubChem CID 164748256) has the molecular formula C36H27N and a molecular weight of 473.62 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-12,9'-fluorene].

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-12,9'-fluorene]
PubChem CID164748256
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
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-12,9'-fluorene]
SMILESCC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C36H27N/c1-35(2,3)25-18-24-16-17-37-34-28-19-22-10-4-5-11-23(22)20-31(28)36(32(21-25)33(24)34)29-14-8-6-12-26(29)27-13-7-9-15-30(27)36/h4-21H,1-3H3
InChIKeyPEAPFQYKVXZSEJ-UHFFFAOYSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.03
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-12,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
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-11,9'-fluorene]
CID 140775185
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-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
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
2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]
CID 170533763
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
1-[3-tert-butyl-5-[9-[3-(4-tert-butyl-2-pyridinyl)phenyl]fluoren-9-yl]phenyl]isoquinoline
CID 153428819
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192

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-12,9'-fluorene]?
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-12,9'-fluorene] (CID 164748256) 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-12,9'-fluorene].
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-12,9'-fluorene]?
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-12,9'-fluorene] is CC(C)(C)c1cc2c3c(nccc3c1)-c1cc3ccccc3cc1C21c2ccccc2-c2ccccc21.
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-12,9'-fluorene]?
The InChIKey is PEAPFQYKVXZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-35(2,3)25-18-24-16-17-37-34-28-19-22-10-4-5-11-23(22)20-31(28)36(32(21-25)33(24)34)29-14-8-6-12-26(29)27-13-7-9-15-30(27)36/h4-21H,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-12,9'-fluorene]?
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] has a molecular weight of 473.62 g/mol, XLogP of 9.03, 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-12,9'-fluorene] is sourced from PubChem (CID 164748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).