3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine

C27H24N10O3 — CID 15982464

IUPAC3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
SMILESCOc1ccc(NC2=NC3=NC(Nc4ccc(OC)cc4)=NC4=NC(Nc5ccc(OC)cc5)=NC(=N2)N34)cc1
InChIInChI=1S/C27H24N10O3/c1-38-19-10-4-16(5-11-19)28-22-31-25-33-23(29-17-6-12-20(39-2)13-7-17)35-27-36-24(34-26(32-22)37(25)27)30-18-8-14-21(40-3)15-9-18/h4-15H,1-3H3,(H3,28,29,30,31,32,33,34,35,36)
InChIKeyZLPBVDNDADXEER-UHFFFAOYSA-N
MW536.56 g/mol
LogP3.83
Rot. Bonds6

About 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine

3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine (PubChem CID 15982464) has the molecular formula C27H24N10O3 and a molecular weight of 536.56 g/mol. Its IUPAC name is 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine.

Molecular Properties

Compound Name3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
PubChem CID15982464
Molecular FormulaC27H24N10O3
Molecular Weight536.56 g/mol
Exact Mass536.20
IUPAC Name3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
SMILESCOc1ccc(NC2=NC3=NC(Nc4ccc(OC)cc4)=NC4=NC(Nc5ccc(OC)cc5)=NC(=N2)N34)cc1
InChIInChI=1S/C27H24N10O3/c1-38-19-10-4-16(5-11-19)28-22-31-25-33-23(29-17-6-12-20(39-2)13-7-17)35-27-36-24(34-26(32-22)37(25)27)30-18-8-14-21(40-3)15-9-18/h4-15H,1-3H3,(H3,28,29,30,31,32,33,34,35,36)
InChIKeyZLPBVDNDADXEER-UHFFFAOYSA-N
XLogP3.83
TPSA141.18 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine 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

butyl 4-[[7,11-bis(4-butoxycarbonylanilino)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]amino]benzoate
CID 15983367
3-N,7-N,11-N-tris(1H-indol-5-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine
CID 59775652
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
N-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 130015647
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The IUPAC name of 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine (CID 15982464) is 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine.
What is the SMILES notation for 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The canonical SMILES for 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine is COc1ccc(NC2=NC3=NC(Nc4ccc(OC)cc4)=NC4=NC(Nc5ccc(OC)cc5)=NC(=N2)N34)cc1.
What is the InChIKey of 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
The InChIKey is ZLPBVDNDADXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N10O3/c1-38-19-10-4-16(5-11-19)28-22-31-25-33-23(29-17-6-12-20(39-2)13-7-17)35-27-36-24(34-26(32-22)37(25)27)30-18-8-14-21(40-3)15-9-18/h4-15H,1-3H3,(H3,28,29,30,31,32,33,34,35,36).
What are the key properties of 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine?
3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine has a molecular weight of 536.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N,11-N-tris(4-methoxyphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-3,7,11-triamine is sourced from PubChem (CID 15982464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).