2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine

C53H39N3 — CID 170227990

IUPAC2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
SMILESC=C1C=CC2=C(C1)c1ccc(-c3nc(C4=CCC(c5ccc(-c6ccccc6)cc5)C=C4)nc(-c4ccccc4)n3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H39N3/c1-36-22-33-48-47(34-36)46-32-31-43(35-49(46)53(48,44-18-10-4-11-19-44)45-20-12-5-13-21-45)52-55-50(41-16-8-3-9-17-41)54-51(56-52)42-29-27-40(28-30-42)39-25-23-38(24-26-39)37-14-6-2-7-15-37/h2-27,29-33,35,40H,1,28,34H2
InChIKeyRWXILTOWSWPSNT-UHFFFAOYSA-N
MW717.92 g/mol
LogP12.62
Rot. Bonds7

About 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine

2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine (PubChem CID 170227990) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
PubChem CID170227990
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC Name2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
SMILESC=C1C=CC2=C(C1)c1ccc(-c3nc(C4=CCC(c5ccc(-c6ccccc6)cc5)C=C4)nc(-c4ccccc4)n3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H39N3/c1-36-22-33-48-47(34-36)46-32-31-43(35-49(46)53(48,44-18-10-4-11-19-44)45-20-12-5-13-21-45)52-55-50(41-16-8-3-9-17-41)54-51(56-52)42-29-27-40(28-30-42)39-25-23-38(24-26-39)37-14-6-2-7-15-37/h2-27,29-33,35,40H,1,28,34H2
InChIKeyRWXILTOWSWPSNT-UHFFFAOYSA-N
XLogP12.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[9,9-dimethyl-6'-[4-[4-(3-phenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 155475793
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-[4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 163902617
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine (CID 170227990) is 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine is C=C1C=CC2=C(C1)c1ccc(-c3nc(C4=CCC(c5ccc(-c6ccccc6)cc5)C=C4)nc(-c4ccccc4)n3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine?
The InChIKey is RWXILTOWSWPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-36-22-33-48-47(34-36)46-32-31-43(35-49(46)53(48,44-18-10-4-11-19-44)45-20-12-5-13-21-45)52-55-50(41-16-8-3-9-17-41)54-51(56-52)42-29-27-40(28-30-42)39-25-23-38(24-26-39)37-14-6-2-7-15-37/h2-27,29-33,35,40H,1,28,34H2.
What are the key properties of 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine?
2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine has a molecular weight of 717.92 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170227990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).