2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine

C75H54N6 — CID 146533849

IUPAC2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(Nc5nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H54N6/c1-4-10-52(11-5-1)55-16-22-58(23-17-55)61-28-34-64(35-29-61)67-40-46-70(47-41-67)76-73-79-74(77-71-48-42-68(43-49-71)65-36-30-62(31-37-65)59-24-18-56(19-25-59)53-12-6-2-7-13-53)81-75(80-73)78-72-50-44-69(45-51-72)66-38-32-63(33-39-66)60-26-20-57(21-27-60)54-14-8-3-9-15-54/h1-51H,(H3,76,77,78,79,80,81)
InChIKeySIRIYWUEDSIFAT-UHFFFAOYSA-N
MW1039.30 g/mol
LogP20.11
Rot. Bonds15

About 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 146533849) has the molecular formula C75H54N6 and a molecular weight of 1039.30 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID146533849
Molecular FormulaC75H54N6
Molecular Weight1039.30 g/mol
Exact Mass1038.44
IUPAC Name2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(Nc5nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H54N6/c1-4-10-52(11-5-1)55-16-22-58(23-17-55)61-28-34-64(35-29-61)67-40-46-70(47-41-67)76-73-79-74(77-71-48-42-68(43-49-71)65-36-30-62(31-37-65)59-24-18-56(19-25-59)53-12-6-2-7-13-53)81-75(80-73)78-72-50-44-69(45-51-72)66-38-32-63(33-39-66)60-26-20-57(21-27-60)54-14-8-3-9-15-54/h1-51H,(H3,76,77,78,79,80,81)
InChIKeySIRIYWUEDSIFAT-UHFFFAOYSA-N
XLogP20.11
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.30
LogP ≤ 520.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 163712308
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
CID 71531843
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
N,6-diphenylnaphthalen-2-amine
CID 67205043

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine (CID 146533849) is 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine is c1ccc(-c2ccc(-c3ccc(-c4ccc(Nc5nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)nc(Nc6ccc(-c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)n5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SIRIYWUEDSIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N6/c1-4-10-52(11-5-1)55-16-22-58(23-17-55)61-28-34-64(35-29-61)67-40-46-70(47-41-67)76-73-79-74(77-71-48-42-68(43-49-71)65-36-30-62(31-37-65)59-24-18-56(19-25-59)53-12-6-2-7-13-53)81-75(80-73)78-72-50-44-69(45-51-72)66-38-32-63(33-39-66)60-26-20-57(21-27-60)54-14-8-3-9-15-54/h1-51H,(H3,76,77,78,79,80,81).
What are the key properties of 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1039.30 g/mol, XLogP of 20.11, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146533849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).