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

C30H26N2 — CID 168816800

IUPAC17,17-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
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2c(n1)C(C)(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C30H26N2/c1-18(2)29-31-27(23-14-13-19-9-5-6-10-20(19)15-23)26-24-16-21-11-7-8-12-22(21)17-25(24)30(3,4)28(26)32-29/h5-18H,1-4H3
InChIKeyTZMSLFBUHYFJFU-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.88
Rot. Bonds2

About 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

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 (PubChem CID 168816800) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,17-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
PubChem CID168816800
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name17,17-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
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2c(n1)C(C)(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C30H26N2/c1-18(2)29-31-27(23-14-13-19-9-5-6-10-20(19)15-23)26-24-16-21-11-7-8-12-22(21)17-25(24)30(3,4)28(26)32-29/h5-18H,1-4H3
InChIKeyTZMSLFBUHYFJFU-UHFFFAOYSA-N
XLogP7.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
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
25,25-dimethyl-20-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725846
17-methyl-12-naphthalen-2-yl-14-propan-2-yl-13,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 168816444
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
9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
CID 140710796
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
20,20-dimethyl-13-(10-naphthalen-2-ylanthracen-9-yl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene
CID 123915009
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc(-c2ccc3ccccc3c2)c2c(n1)C(C)(C)c1cc3ccccc3cc1-2.
What is the InChIKey of 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?
The InChIKey is TZMSLFBUHYFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-18(2)29-31-27(23-14-13-19-9-5-6-10-20(19)15-23)26-24-16-21-11-7-8-12-22(21)17-25(24)30(3,4)28(26)32-29/h5-18H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 414.55 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).