2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine

C57H45N3 — CID 163623400

IUPAC2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2C1(C)C
InChIInChI=1S/C57H45N3/c1-56(2)51-33-31-44(42-25-16-24-41(34-42)38-18-8-5-9-19-38)36-50(51)48-32-30-45(37-52(48)57(56,3)4)43-26-17-27-46(35-43)47-28-14-15-29-49(47)55-59-53(39-20-10-6-11-21-39)58-54(60-55)40-22-12-7-13-23-40/h5-37H,1-4H3
InChIKeyAQXTXRFTIHVGPZ-UHFFFAOYSA-N
MW772.01 g/mol
LogP14.78
Rot. Bonds7

About 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 163623400) has the molecular formula C57H45N3 and a molecular weight of 772.01 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
PubChem CID163623400
Molecular FormulaC57H45N3
Molecular Weight772.01 g/mol
Exact Mass771.36
IUPAC Name2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2C1(C)C
InChIInChI=1S/C57H45N3/c1-56(2)51-33-31-44(42-25-16-24-41(34-42)38-18-8-5-9-19-38)36-50(51)48-32-30-45(37-52(48)57(56,3)4)43-26-17-27-46(35-43)47-28-14-15-29-49(47)55-59-53(39-20-10-6-11-21-39)58-54(60-55)40-22-12-7-13-23-40/h5-37H,1-4H3
InChIKeyAQXTXRFTIHVGPZ-UHFFFAOYSA-N
XLogP14.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.01
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
CID 163660771
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
2,4-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
2-[3-(10,10,14,14,15,15-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10,20,20,21,21-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163788746
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine
CID 163454993
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 157199940
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine (CID 163623400) is 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine is CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2C1(C)C.
What is the InChIKey of 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is AQXTXRFTIHVGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N3/c1-56(2)51-33-31-44(42-25-16-24-41(34-42)38-18-8-5-9-19-38)36-50(51)48-32-30-45(37-52(48)57(56,3)4)43-26-17-27-46(35-43)47-28-14-15-29-49(47)55-59-53(39-20-10-6-11-21-39)58-54(60-55)40-22-12-7-13-23-40/h5-37H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 772.01 g/mol, XLogP of 14.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163623400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).