2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C69H57N3 — CID 58876393

IUPAC2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H57N3/c1-67(2)58-23-14-13-22-52(58)54-34-29-48(39-60(54)67)50-31-36-56-57-37-32-51(42-63(57)69(5,6)62(56)41-50)49-30-35-55-53-33-26-44(38-59(53)68(3,4)61(55)40-49)17-15-16-43-24-27-47(28-25-43)66-71-64(45-18-9-7-10-19-45)70-65(72-66)46-20-11-8-12-21-46/h7-14,18-42H,15-17H2,1-6H3
InChIKeyUAQPZAKWMHDYQI-UHFFFAOYSA-N
MW928.24 g/mol
LogP17.30
Rot. Bonds9

About 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58876393) has the molecular formula C69H57N3 and a molecular weight of 928.24 g/mol. Its IUPAC name is 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58876393
Molecular FormulaC69H57N3
Molecular Weight928.24 g/mol
Exact Mass927.46
IUPAC Name2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H57N3/c1-67(2)58-23-14-13-22-52(58)54-34-29-48(39-60(54)67)50-31-36-56-57-37-32-51(42-63(57)69(5,6)62(56)41-50)49-30-35-55-53-33-26-44(38-59(53)68(3,4)61(55)40-49)17-15-16-43-24-27-47(28-25-43)66-71-64(45-18-9-7-10-19-45)70-65(72-66)46-20-11-8-12-21-46/h7-14,18-42H,15-17H2,1-6H3
InChIKeyUAQPZAKWMHDYQI-UHFFFAOYSA-N
XLogP17.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.24
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
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
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
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-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58876393) is 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UAQPZAKWMHDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N3/c1-67(2)58-23-14-13-22-52(58)54-34-29-48(39-60(54)67)50-31-36-56-57-37-32-51(42-63(57)69(5,6)62(56)41-50)49-30-35-55-53-33-26-44(38-59(53)68(3,4)61(55)40-49)17-15-16-43-24-27-47(28-25-43)66-71-64(45-18-9-7-10-19-45)70-65(72-66)46-20-11-8-12-21-46/h7-14,18-42H,15-17H2,1-6H3.
What are the key properties of 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 928.24 g/mol, XLogP of 17.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58876393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).