2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C53H37N3 — CID 155765168

IUPAC2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc3c(c2-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H37N3/c1-36-26-28-37(29-27-36)44-34-35-47-49(45-24-14-15-25-46(45)53(47,42-20-10-4-11-21-42)43-22-12-5-13-23-43)48(44)38-30-32-41(33-31-38)52-55-50(39-16-6-2-7-17-39)54-51(56-52)40-18-8-3-9-19-40/h2-35H,1H3
InChIKeyFNNVVCSNKVADFH-UHFFFAOYSA-N
MW715.90 g/mol
LogP12.88
Rot. Bonds7

About 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155765168) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155765168
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC Name2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc3c(c2-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H37N3/c1-36-26-28-37(29-27-36)44-34-35-47-49(45-24-14-15-25-46(45)53(47,42-20-10-4-11-21-42)43-22-12-5-13-23-43)48(44)38-30-32-41(33-31-38)52-55-50(39-16-6-2-7-17-39)54-51(56-52)40-18-8-3-9-19-40/h2-35H,1H3
InChIKeyFNNVVCSNKVADFH-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765164
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134569779
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
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
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765165
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146221100
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666
2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
CID 170441826
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155765168) is 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2ccc3c(c2-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FNNVVCSNKVADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-36-26-28-37(29-27-36)44-34-35-47-49(45-24-14-15-25-46(45)53(47,42-20-10-4-11-21-42)43-22-12-5-13-23-43)48(44)38-30-32-41(33-31-38)52-55-50(39-16-6-2-7-17-39)54-51(56-52)40-18-8-3-9-19-40/h2-35H,1H3.
What are the key properties of 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 715.90 g/mol, XLogP of 12.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155765168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).