4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

C63H47N3 — CID 126628186

IUPAC4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NC(c6cccc(-c7ccccc7)c6)NC(c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)N5)cc4)c3)c2)cc1
InChIInChI=1S/C63H47N3/c1-4-15-44(16-5-1)51-21-10-26-56(39-51)58-28-12-23-53(41-58)47-31-35-49(36-32-47)61-64-62(66-63(65-61)60-30-14-25-55(43-60)46-19-8-3-9-20-46)50-37-33-48(34-38-50)54-24-13-29-59(42-54)57-27-11-22-52(40-57)45-17-6-2-7-18-45/h1-43,61,63,65H,(H,64,66)
InChIKeyIGFAFDPEDPJHCE-UHFFFAOYSA-N
MW846.09 g/mol
LogP15.69
Rot. Bonds10

About 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126628186) has the molecular formula C63H47N3 and a molecular weight of 846.09 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126628186
Molecular FormulaC63H47N3
Molecular Weight846.09 g/mol
Exact Mass845.38
IUPAC Name4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NC(c6cccc(-c7ccccc7)c6)NC(c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)N5)cc4)c3)c2)cc1
InChIInChI=1S/C63H47N3/c1-4-15-44(16-5-1)51-21-10-26-56(39-51)58-28-12-23-53(41-58)47-31-35-49(36-32-47)61-64-62(66-63(65-61)60-30-14-25-55(43-60)46-19-8-3-9-20-46)50-37-33-48(34-38-50)54-24-13-29-59(42-54)57-27-11-22-52(40-57)45-17-6-2-7-18-45/h1-43,61,63,65H,(H,64,66)
InChIKeyIGFAFDPEDPJHCE-UHFFFAOYSA-N
XLogP15.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 515.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126628186) is 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NC(c6cccc(-c7ccccc7)c6)NC(c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)N5)cc4)c3)c2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is IGFAFDPEDPJHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N3/c1-4-15-44(16-5-1)51-21-10-26-56(39-51)58-28-12-23-53(41-58)47-31-35-49(36-32-47)61-64-62(66-63(65-61)60-30-14-25-55(43-60)46-19-8-3-9-20-46)50-37-33-48(34-38-50)54-24-13-29-59(42-54)57-27-11-22-52(40-57)45-17-6-2-7-18-45/h1-43,61,63,65H,(H,64,66).
What are the key properties of 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 846.09 g/mol, XLogP of 15.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-2,6-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126628186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).