2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine

C42H27N3 — CID 164821212

IUPAC2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C42H27N3/c1-2-14-30(15-3-1)39-43-40(33-23-22-28-12-4-6-16-31(28)26-33)45-41(44-39)42(34-25-24-29-13-5-7-17-32(29)27-34)37-20-10-8-18-35(37)36-19-9-11-21-38(36)42/h1-27H
InChIKeyONQDPKABZRPCQQ-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.88
Rot. Bonds4

About 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine (PubChem CID 164821212) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
PubChem CID164821212
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C42H27N3/c1-2-14-30(15-3-1)39-43-40(33-23-22-28-12-4-6-16-31(28)26-33)45-41(44-39)42(34-25-24-29-13-5-7-17-32(29)27-34)37-20-10-8-18-35(37)36-19-9-11-21-38(36)42/h1-27H
InChIKeyONQDPKABZRPCQQ-UHFFFAOYSA-N
XLogP9.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline
CID 66598834
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
23-[4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 164821320
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-yl-1,3,5-triazine
CID 155054905

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine (CID 164821212) is 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(C3(c4ccc5ccccc5c4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ONQDPKABZRPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-14-30(15-3-1)39-43-40(33-23-22-28-12-4-6-16-31(28)26-33)45-41(44-39)42(34-25-24-29-13-5-7-17-32(29)27-34)37-20-10-8-18-35(37)36-19-9-11-21-38(36)42/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 573.70 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164821212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).