2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C52H37N3 — CID 118426889

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)47-26-12-11-25-43(47)44-28-27-40(33-48(44)52)45-31-38-19-9-10-20-39(38)32-46(45)51-54-49(41-23-13-21-36(29-41)34-15-5-3-6-16-34)53-50(55-51)42-24-14-22-37(30-42)35-17-7-4-8-18-35/h3-33H,1-2H3
InChIKeyRIABEXNHIVNERH-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.33
Rot. Bonds6

About 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 118426889) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID118426889
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21
InChIInChI=1S/C52H37N3/c1-52(2)47-26-12-11-25-43(47)44-28-27-40(33-48(44)52)45-31-38-19-9-10-20-39(38)32-46(45)51-54-49(41-23-13-21-36(29-41)34-15-5-3-6-16-34)53-50(55-51)42-24-14-22-37(30-42)35-17-7-4-8-18-35/h3-33H,1-2H3
InChIKeyRIABEXNHIVNERH-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 154614257
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465363
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 118426889) is 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is RIABEXNHIVNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)47-26-12-11-25-43(47)44-28-27-40(33-48(44)52)45-31-38-19-9-10-20-39(38)32-46(45)51-54-49(41-23-13-21-36(29-41)34-15-5-3-6-16-34)53-50(55-51)42-24-14-22-37(30-42)35-17-7-4-8-18-35/h3-33H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 703.89 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).