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

C27H26N2 — CID 168816654

IUPAC12-(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
SMILESCC(C)(C)c1ccc(-c2ncnc3c2-c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C27H26N2/c1-26(2,3)19-13-10-18(11-14-19)24-22-21-15-12-17-8-6-7-9-20(17)23(21)27(4,5)25(22)29-16-28-24/h6-16H,1-5H3
InChIKeyRLNGNMNITLGHAS-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.90
Rot. Bonds1

About 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

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 (PubChem CID 168816654) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-(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
PubChem CID168816654
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name12-(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
SMILESCC(C)(C)c1ccc(-c2ncnc3c2-c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C27H26N2/c1-26(2,3)19-13-10-18(11-14-19)24-22-21-15-12-17-8-6-7-9-20(17)23(21)27(4,5)25(22)29-16-28-24/h6-16H,1-5H3
InChIKeyRLNGNMNITLGHAS-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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

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
15-(4-tert-butylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 168816028
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
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
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
17,17-dimethyl-12-naphthalen-1-yl-14-[3-(3-phenylphenyl)phenyl]-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 129129341
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
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
12,12-dimethyl-9-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 156524410
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2ncnc3c2-c2ccc4ccccc4c2C3(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is RLNGNMNITLGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-26(2,3)19-13-10-18(11-14-19)24-22-21-15-12-17-8-6-7-9-20(17)23(21)27(4,5)25(22)29-16-28-24/h6-16H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 378.52 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168816654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).