15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine

C52H37N3O2 — CID 155360220

IUPAC15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
SMILESCN(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc12
InChIInChI=1S/C52H37N3O2/c1-53(2)47-33-45-44-29-34-23-25-42(54(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-36(34)31-48(44)56-51(45)50-46-30-35-24-26-43(28-37(35)32-49(46)57-52(47)50)55(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-33H,1-2H3
InChIKeyWWSZBJARZZHGNS-UHFFFAOYSA-N
MW735.89 g/mol
LogP14.80
Rot. Bonds7

About 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine

15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine (PubChem CID 155360220) has the molecular formula C52H37N3O2 and a molecular weight of 735.89 g/mol. Its IUPAC name is 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine.

Molecular Properties

Compound Name15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
PubChem CID155360220
Molecular FormulaC52H37N3O2
Molecular Weight735.89 g/mol
Exact Mass735.29
IUPAC Name15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
SMILESCN(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc12
InChIInChI=1S/C52H37N3O2/c1-53(2)47-33-45-44-29-34-23-25-42(54(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-36(34)31-48(44)56-51(45)50-46-30-35-24-26-43(28-37(35)32-49(46)57-52(47)50)55(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-33H,1-2H3
InChIKeyWWSZBJARZZHGNS-UHFFFAOYSA-N
XLogP14.80
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-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

15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
CID 155360221
15-methyl-8-N,8-N,23-N,23-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146886657
16-methoxy-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362944
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361604
8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155360511
2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155363069
2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360712
9,23-bis(N-phenylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile
CID 155360779
2,16-dimethyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362157
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146497089
8-N,23-N-di(phenanthren-2-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361439
16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360468

Frequently Asked Questions

What is the IUPAC name of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?
The IUPAC name of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine (CID 155360220) is 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine.
What is the SMILES notation for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?
The canonical SMILES for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine is CN(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccccc4)c4ccccc4)ccc3cc12.
What is the InChIKey of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?
The InChIKey is WWSZBJARZZHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O2/c1-53(2)47-33-45-44-29-34-23-25-42(54(38-15-7-3-8-16-38)39-17-9-4-10-18-39)27-36(34)31-48(44)56-51(45)50-46-30-35-24-26-43(28-37(35)32-49(46)57-52(47)50)55(40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-33H,1-2H3.
What are the key properties of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?
15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine has a molecular weight of 735.89 g/mol, XLogP of 14.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine is sourced from PubChem (CID 155360220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).