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

C32H30N2 — CID 168816710

IUPAC8-(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
SMILESCC(C)(C)Cc1cc2c(c3ccccc13)C(C)(C)c1ncnc(-c3ccc4ccccc4c3)c1-2
InChIInChI=1S/C32H30N2/c1-31(2,3)18-23-17-26-27-29(22-15-14-20-10-6-7-11-21(20)16-22)33-19-34-30(27)32(4,5)28(26)25-13-9-8-12-24(23)25/h6-17,19H,18H2,1-5H3
InChIKeySIWIZCMGYAEMNP-UHFFFAOYSA-N
MW442.61 g/mol
LogP8.34
Rot. Bonds2

About 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

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 (PubChem CID 168816710) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID168816710
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name8-(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
SMILESCC(C)(C)Cc1cc2c(c3ccccc13)C(C)(C)c1ncnc(-c3ccc4ccccc4c3)c1-2
InChIInChI=1S/C32H30N2/c1-31(2,3)18-23-17-26-27-29(22-15-14-20-10-6-7-11-21(20)16-22)33-19-34-30(27)32(4,5)28(26)25-13-9-8-12-24(23)25/h6-17,19H,18H2,1-5H3
InChIKeySIWIZCMGYAEMNP-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 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 with MolForge

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Related Compounds

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
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
8-tert-butyl-11,11-dimethyl-13-naphthalen-2-yl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168816708
2-(2,2-dimethylpropyl)-12-naphthalen-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816437
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
4-naphthalen-2-ylquinazoline
CID 58881337
12,12-dimethyl-9,15-dinaphthalen-2-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151535
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
20-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 140710526
17,17-dimethyl-12-naphthalen-2-yl-14-propan-2-yl-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816800
12,12-dimethyl-9-naphthalen-2-yl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710788

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Cc1cc2c(c3ccccc13)C(C)(C)c1ncnc(-c3ccc4ccccc4c3)c1-2.
What is the InChIKey of 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?
The InChIKey is SIWIZCMGYAEMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-31(2,3)18-23-17-26-27-29(22-15-14-20-10-6-7-11-21(20)16-22)33-19-34-30(27)32(4,5)28(26)25-13-9-8-12-24(23)25/h6-17,19H,18H2,1-5H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 168816710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).