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

C31H28N2 — CID 168816708

IUPAC8-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
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1ncnc(-c3ccc4ccccc4c3)c1C2(C)C
InChIInChI=1S/C31H28N2/c1-30(2,3)24-17-25-26(23-13-9-8-12-22(23)24)29-27(31(25,4)5)28(32-18-33-29)21-15-14-19-10-6-7-11-20(19)16-21/h6-18H,1-5H3
InChIKeyMZDVWVIASFQQHF-UHFFFAOYSA-N
MW428.58 g/mol
LogP8.05
Rot. Bonds1

About 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

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 (PubChem CID 168816708) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID168816708
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name8-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
SMILESCC(C)(C)c1cc2c(c3ccccc13)-c1ncnc(-c3ccc4ccccc4c3)c1C2(C)C
InChIInChI=1S/C31H28N2/c1-30(2,3)24-17-25-26(23-13-9-8-12-22(23)24)29-27(31(25,4)5)28(32-18-33-29)21-15-14-19-10-6-7-11-20(19)16-21/h6-18H,1-5H3
InChIKeyMZDVWVIASFQQHF-UHFFFAOYSA-N
XLogP8.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
3,3,24,24-tetramethyl-6,21-dinaphthalen-2-ylhexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181698
4-naphthalen-2-ylquinazoline
CID 58881337
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
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
CID 167354477
9',18'-ditert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-amine
CID 146311429
3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182253
21,21-dimethyl-16-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724697
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene
CID 140808444

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2c(c3ccccc13)-c1ncnc(-c3ccc4ccccc4c3)c1C2(C)C.
What is the InChIKey of 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?
The InChIKey is MZDVWVIASFQQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-30(2,3)24-17-25-26(23-13-9-8-12-22(23)24)29-27(31(25,4)5)28(32-18-33-29)21-15-14-19-10-6-7-11-20(19)16-21/h6-18H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 428.58 g/mol, XLogP of 8.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).