2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C52H37N3 — CID 167182460

IUPAC2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C52H37N3/c1-5-15-36(16-6-1)38-25-29-40(30-26-38)49-53-50(41-31-27-39(28-32-41)37-17-7-2-8-18-37)55-51(54-49)42-33-34-46-45-23-13-14-24-47(45)52(48(46)35-42,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-35,46,48H
InChIKeyZINYEQLXGCNLTQ-UHFFFAOYSA-N
MW703.89 g/mol
LogP12.24
Rot. Bonds7

About 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167182460) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID167182460
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C52H37N3/c1-5-15-36(16-6-1)38-25-29-40(30-26-38)49-53-50(41-31-27-39(28-32-41)37-17-7-2-8-18-37)55-51(54-49)42-33-34-46-45-23-13-14-24-47(45)52(48(46)35-42,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-35,46,48H
InChIKeyZINYEQLXGCNLTQ-UHFFFAOYSA-N
XLogP12.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 138484756
9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
CID 163685028
N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
CID 174110881
2-naphthalen-2-yl-4-phenyl-6-[3-[2-[2-[4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]-1,3,5-triazine
CID 155442481
2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 167644198
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
CID 126546621
2,4-diphenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 139549753
2-[7-(9,9'-spirobi[fluorene]-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 123276399
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole
CID 135173123
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 167182460) is 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is C1=CC2c3ccccc3C(c3ccccc3)(c3ccccc3)C2C=C1c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZINYEQLXGCNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-5-15-36(16-6-1)38-25-29-40(30-26-38)49-53-50(41-31-27-39(28-32-41)37-17-7-2-8-18-37)55-51(54-49)42-33-34-46-45-23-13-14-24-47(45)52(48(46)35-42,43-19-9-3-10-20-43)44-21-11-4-12-22-44/h1-35,46,48H.
What are the key properties of 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 703.89 g/mol, XLogP of 12.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167182460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).