5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine

C64H52N4 — CID 20767384

IUPAC5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
SMILESc1ccc(N(c2ccccc2)c2cc3c(N(c4ccccc4)c4ccccc4)cc2CCc2cc(N(c4ccccc4)c4ccccc4)c(cc2N(c2ccccc2)c2ccccc2)CC3)cc1
InChIInChI=1S/C64H52N4/c1-9-25-53(26-10-1)65(54-27-11-2-12-28-54)61-45-50-43-44-52-48-63(67(57-33-17-5-18-34-57)58-35-19-6-20-36-58)51(47-64(52)68(59-37-21-7-22-38-59)60-39-23-8-24-40-60)42-41-49(61)46-62(50)66(55-29-13-3-14-30-55)56-31-15-4-16-32-56/h1-40,45-48H,41-44H2
InChIKeyDIQPMBMAHMZBTB-UHFFFAOYSA-N
MW877.15 g/mol
LogP17.45
Rot. Bonds12

About 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine

5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine (PubChem CID 20767384) has the molecular formula C64H52N4 and a molecular weight of 877.15 g/mol. Its IUPAC name is 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine.

Molecular Properties

Compound Name5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
PubChem CID20767384
Molecular FormulaC64H52N4
Molecular Weight877.15 g/mol
Exact Mass876.42
IUPAC Name5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
SMILESc1ccc(N(c2ccccc2)c2cc3c(N(c4ccccc4)c4ccccc4)cc2CCc2cc(N(c4ccccc4)c4ccccc4)c(cc2N(c2ccccc2)c2ccccc2)CC3)cc1
InChIInChI=1S/C64H52N4/c1-9-25-53(26-10-1)65(54-27-11-2-12-28-54)61-45-50-43-44-52-48-63(67(57-33-17-5-18-34-57)58-35-19-6-20-36-58)51(47-64(52)68(59-37-21-7-22-38-59)60-39-23-8-24-40-60)42-41-49(61)46-62(50)66(55-29-13-3-14-30-55)56-31-15-4-16-32-56/h1-40,45-48H,41-44H2
InChIKeyDIQPMBMAHMZBTB-UHFFFAOYSA-N
XLogP17.45
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine 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

N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
N,N-diphenylaniline;silane
CID 131739129
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 155431854
N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
CID 70991836
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine?
The IUPAC name of 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine (CID 20767384) is 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine.
What is the SMILES notation for 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine?
The canonical SMILES for 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine is c1ccc(N(c2ccccc2)c2cc3c(N(c4ccccc4)c4ccccc4)cc2CCc2cc(N(c4ccccc4)c4ccccc4)c(cc2N(c2ccccc2)c2ccccc2)CC3)cc1.
What is the InChIKey of 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine?
The InChIKey is DIQPMBMAHMZBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4/c1-9-25-53(26-10-1)65(54-27-11-2-12-28-54)61-45-50-43-44-52-48-63(67(57-33-17-5-18-34-57)58-35-19-6-20-36-58)51(47-64(52)68(59-37-21-7-22-38-59)60-39-23-8-24-40-60)42-41-49(61)46-62(50)66(55-29-13-3-14-30-55)56-31-15-4-16-32-56/h1-40,45-48H,41-44H2.
What are the key properties of 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine?
5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine has a molecular weight of 877.15 g/mol, XLogP of 17.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine is sourced from PubChem (CID 20767384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).