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

C60H57N3 — CID 165375539

IUPAC2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21
InChIInChI=1S/C60H57N3/c1-60(2)55-34-18-17-33-53(55)54-36-35-49(41-56(54)60)47-31-20-32-48(37-47)51-38-50(44-24-10-5-3-4-9-21-43(29-19-30-44)42-22-11-6-12-23-42)39-52(40-51)59-62-57(45-25-13-7-14-26-45)61-58(63-59)46-27-15-8-16-28-46/h6-8,11-18,20,22-23,25-28,31-41,43-44H,3-5,9-10,19,21,24,29-30H2,1-2H3
InChIKeyNRSPOKNMIWJWDY-UHFFFAOYSA-N
MW820.14 g/mol
LogP16.29
Rot. Bonds7

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

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165375539) has the molecular formula C60H57N3 and a molecular weight of 820.14 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165375539
Molecular FormulaC60H57N3
Molecular Weight820.14 g/mol
Exact Mass819.46
IUPAC Name2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21
InChIInChI=1S/C60H57N3/c1-60(2)55-34-18-17-33-53(55)54-36-35-49(41-56(54)60)47-31-20-32-48(37-47)51-38-50(44-24-10-5-3-4-9-21-43(29-19-30-44)42-22-11-6-12-23-42)39-52(40-51)59-62-57(45-25-13-7-14-26-45)61-58(63-59)46-27-15-8-16-28-46/h6-8,11-18,20,22-23,25-28,31-41,43-44H,3-5,9-10,19,21,24,29-30H2,1-2H3
InChIKeyNRSPOKNMIWJWDY-UHFFFAOYSA-N
XLogP16.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.14
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene
CID 167636359
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzenethiol
CID 163751907
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine
CID 158720930
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-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165375539) is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21.
What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NRSPOKNMIWJWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H57N3/c1-60(2)55-34-18-17-33-53(55)54-36-35-49(41-56(54)60)47-31-20-32-48(37-47)51-38-50(44-24-10-5-3-4-9-21-43(29-19-30-44)42-22-11-6-12-23-42)39-52(40-51)59-62-57(45-25-13-7-14-26-45)61-58(63-59)46-27-15-8-16-28-46/h6-8,11-18,20,22-23,25-28,31-41,43-44H,3-5,9-10,19,21,24,29-30H2,1-2H3.
What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 820.14 g/mol, XLogP of 16.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165375539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).