3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

C63H42N6 — CID 156756821

IUPAC3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESc1ccc(-n2c(-c3ccc(-c4cccnc4)cc3)cc3c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c32)cc1
InChIInChI=1S/C63H42N6/c1-4-16-52(17-5-1)67-58(46-28-22-43(23-29-46)49-13-10-34-64-40-49)37-55-61(67)56-38-59(47-30-24-44(25-31-47)50-14-11-35-65-41-50)68(53-18-6-2-7-19-53)63(56)57-39-60(69(62(55)57)54-20-8-3-9-21-54)48-32-26-45(27-33-48)51-15-12-36-66-42-51/h1-42H
InChIKeyWNEXJNJUWSZGFV-UHFFFAOYSA-N
MW883.07 g/mol
LogP15.71
Rot. Bonds9

About 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (PubChem CID 156756821) has the molecular formula C63H42N6 and a molecular weight of 883.07 g/mol. Its IUPAC name is 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.

Molecular Properties

Compound Name3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
PubChem CID156756821
Molecular FormulaC63H42N6
Molecular Weight883.07 g/mol
Exact Mass882.35
IUPAC Name3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESc1ccc(-n2c(-c3ccc(-c4cccnc4)cc3)cc3c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c32)cc1
InChIInChI=1S/C63H42N6/c1-4-16-52(17-5-1)67-58(46-28-22-43(23-29-46)49-13-10-34-64-40-49)37-55-61(67)56-38-59(47-30-24-44(25-31-47)50-14-11-35-65-41-50)68(53-18-6-2-7-19-53)63(56)57-39-60(69(62(55)57)54-20-8-3-9-21-54)48-32-26-45(27-33-48)51-15-12-36-66-42-51/h1-42H
InChIKeyWNEXJNJUWSZGFV-UHFFFAOYSA-N
XLogP15.71
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene 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

3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
7-phenyl-5-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 164843445
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
4,9,14-tris(3-methylphenyl)-3,8,13-triphenyl-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258312
3-azulen-6-ylpyridine
CID 86232079
2-phenyl-1-pyridin-3-ylindole
CID 59214542
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
15-phenyl-4,9-bis(3-pyridin-3-ylcarbazol-9-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137512

Frequently Asked Questions

What is the IUPAC name of 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The IUPAC name of 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (CID 156756821) is 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.
What is the SMILES notation for 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The canonical SMILES for 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is c1ccc(-n2c(-c3ccc(-c4cccnc4)cc3)cc3c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c2c2cc(-c4ccc(-c5cccnc5)cc4)n(-c4ccccc4)c32)cc1.
What is the InChIKey of 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The InChIKey is WNEXJNJUWSZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6/c1-4-16-52(17-5-1)67-58(46-28-22-43(23-29-46)49-13-10-34-64-40-49)37-55-61(67)56-38-59(47-30-24-44(25-31-47)50-14-11-35-65-41-50)68(53-18-6-2-7-19-53)63(56)57-39-60(69(62(55)57)54-20-8-3-9-21-54)48-32-26-45(27-33-48)51-15-12-36-66-42-51/h1-42H.
What are the key properties of 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene has a molecular weight of 883.07 g/mol, XLogP of 15.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is sourced from PubChem (CID 156756821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).