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

C28H23N3 — CID 168816444

IUPAC17-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
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2c3cc4ccccc4cc3n(C)c2n1
InChIInChI=1S/C28H23N3/c1-17(2)27-29-26(22-13-12-18-8-4-5-9-19(18)14-22)25-23-15-20-10-6-7-11-21(20)16-24(23)31(3)28(25)30-27/h4-17H,1-3H3
InChIKeyMYTGFAXHVXPPKT-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.22
Rot. Bonds2

About 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

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 (PubChem CID 168816444) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID168816444
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name17-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
SMILESCC(C)c1nc(-c2ccc3ccccc3c2)c2c3cc4ccccc4cc3n(C)c2n1
InChIInChI=1S/C28H23N3/c1-17(2)27-29-26(22-13-12-18-8-4-5-9-19(18)14-22)25-23-15-20-10-6-7-11-21(20)16-24(23)31(3)28(25)30-27/h4-17H,1-3H3
InChIKeyMYTGFAXHVXPPKT-UHFFFAOYSA-N
XLogP7.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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

4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
12-naphthalen-2-yl-14-propan-2-yl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816240
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
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
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
3,24-dimethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)-3,24-diazahexacyclo[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 59181664
N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631424
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine
CID 59796890
2-propan-2-ylbenzo[g]quinazolin-4-amine
CID 106583882
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc(-c2ccc3ccccc3c2)c2c3cc4ccccc4cc3n(C)c2n1.
What is the InChIKey of 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?
The InChIKey is MYTGFAXHVXPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-17(2)27-29-26(22-13-12-18-8-4-5-9-19(18)14-22)25-23-15-20-10-6-7-11-21(20)16-24(23)31(3)28(25)30-27/h4-17H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 401.51 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).