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

C136H87N9 — CID 164949541

IUPAC2-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4ccccc34)n2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C54H35N3.C43H27N3.C39H25N3/c1-3-15-36(16-4-1)37-27-29-38(30-28-37)51-55-52(57-53(56-51)48-35-40-17-7-8-20-43(40)44-21-9-10-22-45(44)48)39-31-33-42(34-32-39)54(41-18-5-2-6-19-41)49-25-13-11-23-46(49)47-24-12-14-26-50(47)54;1-3-11-32-25-34(23-19-28(32)9-1)30-17-21-31(22-18-30)41-44-42(36-24-20-29-10-2-4-12-33(29)26-36)46-43(45-41)40-27-35-13-5-6-14-37(35)38-15-7-8-16-39(38)40;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)36-25-30(23-28-17-7-10-20-32(28)36)35-24-29-18-8-9-19-31(29)33-21-11-12-22-34(33)35/h1-35H;1-27H;1-25H
InChIKeyAIJLTMVPFCWZKB-UHFFFAOYSA-N
MW1847.25 g/mol
LogP34.36
Rot. Bonds14

About 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

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 (PubChem CID 164949541) has the molecular formula C136H87N9 and a molecular weight of 1847.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID164949541
Molecular FormulaC136H87N9
Molecular Weight1847.25 g/mol
Exact Mass1845.71
IUPAC Name2-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4ccccc34)n2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C54H35N3.C43H27N3.C39H25N3/c1-3-15-36(16-4-1)37-27-29-38(30-28-37)51-55-52(57-53(56-51)48-35-40-17-7-8-20-43(40)44-21-9-10-22-45(44)48)39-31-33-42(34-32-39)54(41-18-5-2-6-19-41)49-25-13-11-23-46(49)47-24-12-14-26-50(47)54;1-3-11-32-25-34(23-19-28(32)9-1)30-17-21-31(22-18-30)41-44-42(36-24-20-29-10-2-4-12-33(29)26-36)46-43(45-41)40-27-35-13-5-6-14-37(35)38-15-7-8-16-39(38)40;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)36-25-30(23-28-17-7-10-20-32(28)36)35-24-29-18-8-9-19-31(29)33-21-11-12-22-34(33)35/h1-35H;1-27H;1-25H
InChIKeyAIJLTMVPFCWZKB-UHFFFAOYSA-N
XLogP34.36
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001847.25
LogP ≤ 534.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
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
2,4-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-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
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
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-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2,4-diphenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487274
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4ccccc34)n2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is AIJLTMVPFCWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C43H27N3.C39H25N3/c1-3-15-36(16-4-1)37-27-29-38(30-28-37)51-55-52(57-53(56-51)48-35-40-17-7-8-20-43(40)44-21-9-10-22-45(44)48)39-31-33-42(34-32-39)54(41-18-5-2-6-19-41)49-25-13-11-23-46(49)47-24-12-14-26-50(47)54;1-3-11-32-25-34(23-19-28(32)9-1)30-17-21-31(22-18-30)41-44-42(36-24-20-29-10-2-4-12-33(29)26-36)46-43(45-41)40-27-35-13-5-6-14-37(35)38-15-7-8-16-39(38)40;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)36-25-30(23-28-17-7-10-20-32(28)36)35-24-29-18-8-9-19-31(29)33-21-11-12-22-34(33)35/h1-35H;1-27H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 1847.25 g/mol, XLogP of 34.36, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164949541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).