2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C134H87N9 — CID 164974676

IUPAC2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H31N3.C45H29N3.C41H27N3/c1-3-14-33(15-4-1)45-49-46(51-47(50-45)36-27-30-40-35(31-36)24-23-32-13-7-8-18-39(32)40)34-25-28-38(29-26-34)48(37-16-5-2-6-17-37)43-21-11-9-19-41(43)42-20-10-12-22-44(42)48;1-3-13-30(14-4-1)31-25-27-33(28-26-31)43-46-44(41-24-12-22-38-35(21-11-23-39(38)41)32-15-5-2-6-16-32)48-45(47-43)42-29-34-17-7-8-18-36(34)37-19-9-10-20-40(37)42;1-3-9-28(10-4-1)29-15-17-30(18-16-29)31-19-22-34(23-20-31)40-42-39(33-12-5-2-6-13-33)43-41(44-40)36-25-26-38-35(27-36)24-21-32-11-7-8-14-37(32)38/h1-31H;1-29H;1-27H
InChIKeyDPKSQYYGBOILLH-UHFFFAOYSA-N
MW1823.23 g/mol
LogP33.72
Rot. Bonds15

About 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164974676) has the molecular formula C134H87N9 and a molecular weight of 1823.23 g/mol. Its IUPAC name is 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID164974676
Molecular FormulaC134H87N9
Molecular Weight1823.23 g/mol
Exact Mass1821.71
IUPAC Name2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
InChIInChI=1S/C48H31N3.C45H29N3.C41H27N3/c1-3-14-33(15-4-1)45-49-46(51-47(50-45)36-27-30-40-35(31-36)24-23-32-13-7-8-18-39(32)40)34-25-28-38(29-26-34)48(37-16-5-2-6-17-37)43-21-11-9-19-41(43)42-20-10-12-22-44(42)48;1-3-13-30(14-4-1)31-25-27-33(28-26-31)43-46-44(41-24-12-22-38-35(21-11-23-39(38)41)32-15-5-2-6-16-32)48-45(47-43)42-29-34-17-7-8-18-36(34)37-19-9-10-20-40(37)42;1-3-9-28(10-4-1)29-15-17-30(18-16-29)31-19-22-34(23-20-31)40-42-39(33-12-5-2-6-13-33)43-41(44-40)36-25-26-38-35(27-36)24-21-32-11-7-8-14-37(32)38/h1-31H;1-29H;1-27H
InChIKeyDPKSQYYGBOILLH-UHFFFAOYSA-N
XLogP33.72
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001823.23
LogP ≤ 533.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003640
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine;2-(3-phenanthren-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949541
2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenyl-4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165084268
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 164974676) is 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is DPKSQYYGBOILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C45H29N3.C41H27N3/c1-3-14-33(15-4-1)45-49-46(51-47(50-45)36-27-30-40-35(31-36)24-23-32-13-7-8-18-39(32)40)34-25-28-38(29-26-34)48(37-16-5-2-6-17-37)43-21-11-9-19-41(43)42-20-10-12-22-44(42)48;1-3-13-30(14-4-1)31-25-27-33(28-26-31)43-46-44(41-24-12-22-38-35(21-11-23-39(38)41)32-15-5-2-6-16-32)48-45(47-43)42-29-34-17-7-8-18-36(34)37-19-9-10-20-40(37)42;1-3-9-28(10-4-1)29-15-17-30(18-16-29)31-19-22-34(23-20-31)40-42-39(33-12-5-2-6-13-33)43-41(44-40)36-25-26-38-35(27-36)24-21-32-11-7-8-14-37(32)38/h1-31H;1-29H;1-27H.
What are the key properties of 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1823.23 g/mol, XLogP of 33.72, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164974676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).