2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine

C52H34FN3 — CID 156695700

IUPAC2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ccc5ccccc5c4c3)ccc(-c3nc(-c4ccc(F)cc4)nc(-c4cccc5c4ccc4ccccc45)n3)c21
InChIInChI=1S/C52H34FN3/c1-52(2)46-17-8-7-14-43(46)47-39(35-21-20-33-19-18-31-10-4-6-13-38(31)45(33)30-35)28-29-44(48(47)52)51-55-49(34-22-25-36(53)26-23-34)54-50(56-51)42-16-9-15-40-37-12-5-3-11-32(37)24-27-41(40)42/h3-30H,1-2H3
InChIKeyUGGOBLFVYACGLV-UHFFFAOYSA-N
MW719.86 g/mol
LogP13.60
Rot. Bonds4

About 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine

2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine (PubChem CID 156695700) has the molecular formula C52H34FN3 and a molecular weight of 719.86 g/mol. Its IUPAC name is 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine
PubChem CID156695700
Molecular FormulaC52H34FN3
Molecular Weight719.86 g/mol
Exact Mass719.27
IUPAC Name2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ccc5ccccc5c4c3)ccc(-c3nc(-c4ccc(F)cc4)nc(-c4cccc5c4ccc4ccccc45)n3)c21
InChIInChI=1S/C52H34FN3/c1-52(2)46-17-8-7-14-43(46)47-39(35-21-20-33-19-18-31-10-4-6-13-38(31)45(33)30-35)28-29-44(48(47)52)51-55-49(34-22-25-36(53)26-23-34)54-50(56-51)42-16-9-15-40-37-12-5-3-11-32(37)24-27-41(40)42/h3-30H,1-2H3
InChIKeyUGGOBLFVYACGLV-UHFFFAOYSA-N
XLogP13.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.86
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
CID 76757
Tris-biphenyl triazine
CID 11628027
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 118652415
2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
2,4,6-Trimesityl-1,3,5-triazine
CID 23527749
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine
CID 59336459
2,4-Bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
CID 59439795

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine (CID 156695700) is 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4ccc5ccccc5c4c3)ccc(-c3nc(-c4ccc(F)cc4)nc(-c4cccc5c4ccc4ccccc45)n3)c21.
What is the InChIKey of 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine?
The InChIKey is UGGOBLFVYACGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34FN3/c1-52(2)46-17-8-7-14-43(46)47-39(35-21-20-33-19-18-31-10-4-6-13-38(31)45(33)30-35)28-29-44(48(47)52)51-55-49(34-22-25-36(53)26-23-34)54-50(56-51)42-16-9-15-40-37-12-5-3-11-32(37)24-27-41(40)42/h3-30H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine?
2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine has a molecular weight of 719.86 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-4-phenanthren-3-ylfluoren-1-yl)-4-(4-fluorophenyl)-6-phenanthren-1-yl-1,3,5-triazine is sourced from PubChem (CID 156695700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).