2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine

C51H37N3 — CID 174358591

IUPAC2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6c(c7ccccc57)CCCC6)cc4)nc(-c4cccc5ccc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C51H37N3/c1-3-12-34(13-4-1)36-22-27-39(28-23-36)49-52-50(54-51(53-49)46-21-11-17-37-26-31-41(32-48(37)46)35-14-5-2-6-15-35)40-29-24-38(25-30-40)47-33-42-16-7-8-18-43(42)44-19-9-10-20-45(44)47/h1-6,9-15,17,19-33H,7-8,16,18H2
InChIKeyGFQVMPDLIKQHRG-UHFFFAOYSA-N
MW691.88 g/mol
LogP13.06
Rot. Bonds6

About 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine

2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174358591) has the molecular formula C51H37N3 and a molecular weight of 691.88 g/mol. Its IUPAC name is 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine
PubChem CID174358591
Molecular FormulaC51H37N3
Molecular Weight691.88 g/mol
Exact Mass691.30
IUPAC Name2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6c(c7ccccc57)CCCC6)cc4)nc(-c4cccc5ccc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C51H37N3/c1-3-12-34(13-4-1)36-22-27-39(28-23-36)49-52-50(54-51(53-49)46-21-11-17-37-26-31-41(32-48(37)46)35-14-5-2-6-15-35)40-29-24-38(25-30-40)47-33-42-16-7-8-18-43(42)44-19-9-10-20-45(44)47/h1-6,9-15,17,19-33H,7-8,16,18H2
InChIKeyGFQVMPDLIKQHRG-UHFFFAOYSA-N
XLogP13.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076797
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-naphthalen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176588060
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine (CID 174358591) is 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6c(c7ccccc57)CCCC6)cc4)nc(-c4cccc5ccc(-c6ccccc6)cc45)n3)cc2)cc1.
What is the InChIKey of 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is GFQVMPDLIKQHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3/c1-3-12-34(13-4-1)36-22-27-39(28-23-36)49-52-50(54-51(53-49)46-21-11-17-37-26-31-41(32-48(37)46)35-14-5-2-6-15-35)40-29-24-38(25-30-40)47-33-42-16-7-8-18-43(42)44-19-9-10-20-45(44)47/h1-6,9-15,17,19-33H,7-8,16,18H2.
What are the key properties of 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine?
2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 691.88 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[4-(1,2,3,4-tetrahydrophenanthren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174358591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).