15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C32H30N2 — CID 168816950

IUPAC15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCC(C)(C)Cc1cccc2c(-c3ncnc4c3C(C)(C)c3c-4ccc4ccccc34)cccc12
InChIInChI=1S/C32H30N2/c1-31(2,3)18-21-11-8-14-24-22(21)13-9-15-25(24)29-28-30(34-19-33-29)26-17-16-20-10-6-7-12-23(20)27(26)32(28,4)5/h6-17,19H,18H2,1-5H3
InChIKeyBDBKYZKUNGQLGB-UHFFFAOYSA-N
MW442.61 g/mol
LogP8.34
Rot. Bonds2

About 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 168816950) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID168816950
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCC(C)(C)Cc1cccc2c(-c3ncnc4c3C(C)(C)c3c-4ccc4ccccc34)cccc12
InChIInChI=1S/C32H30N2/c1-31(2,3)18-21-11-8-14-24-22(21)13-9-15-25(24)29-28-30(34-19-33-29)26-17-16-20-10-6-7-12-23(20)27(26)32(28,4)5/h6-17,19H,18H2,1-5H3
InChIKeyBDBKYZKUNGQLGB-UHFFFAOYSA-N
XLogP8.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Related Compounds

12-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816319
8-(2,2-dimethylpropyl)-17,17-dimethyl-12-naphthalen-2-yl-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816710
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
12-(4-tert-butylphenyl)-17,17-dimethyl-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816654
2-(11,11-dimethylbenzo[a]fluoren-10-yl)pyridine
CID 168745083
13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 129129461
20-(2,2-dimethylpropyl)-16,16-dimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814946
(Z)-3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one;13-[5-(2,2-dimethylpropyl)-2H-naphthalen-2-id-1-yl]-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;iridium
CID 168815934
15-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168815831
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
2,20-ditert-butyl-16,16-dimethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164815109

Frequently Asked Questions

What is the IUPAC name of 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 168816950) is 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is CC(C)(C)Cc1cccc2c(-c3ncnc4c3C(C)(C)c3c-4ccc4ccccc34)cccc12.
What is the InChIKey of 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is BDBKYZKUNGQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-31(2,3)18-21-11-8-14-24-22(21)13-9-15-25(24)29-28-30(34-19-33-29)26-17-16-20-10-6-7-12-23(20)27(26)32(28,4)5/h6-17,19H,18H2,1-5H3.
What are the key properties of 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 442.61 g/mol, XLogP of 8.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 168816950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).