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

C60H43N3 — CID 177079134

IUPAC2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)c3-c3ccccc3)ccc21
InChIInChI=1S/C60H43N3/c1-60(2)54-29-16-15-28-50(54)53-37-48(34-35-55(53)60)52-39-49(40-18-7-3-8-19-40)38-51(56(52)42-20-9-4-10-21-42)47-27-17-26-46(36-47)41-30-32-45(33-31-41)59-62-57(43-22-11-5-12-23-43)61-58(63-59)44-24-13-6-14-25-44/h3-39H,1-2H3
InChIKeyADCWNCSSXUBPNV-UHFFFAOYSA-N
MW806.03 g/mol
LogP15.51
Rot. Bonds8

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

2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 177079134) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID177079134
Molecular FormulaC60H43N3
Molecular Weight806.03 g/mol
Exact Mass805.35
IUPAC Name2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)c3-c3ccccc3)ccc21
InChIInChI=1S/C60H43N3/c1-60(2)54-29-16-15-28-50(54)53-37-48(34-35-55(53)60)52-39-49(40-18-7-3-8-19-40)38-51(56(52)42-20-9-4-10-21-42)47-27-17-26-46(36-47)41-30-32-45(33-31-41)59-62-57(43-22-11-5-12-23-43)61-58(63-59)44-24-13-6-14-25-44/h3-39H,1-2H3
InChIKeyADCWNCSSXUBPNV-UHFFFAOYSA-N
XLogP15.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
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-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
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
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 177079134) is 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)c3-c3ccccc3)ccc21.
What is the InChIKey of 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ADCWNCSSXUBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3/c1-60(2)54-29-16-15-28-50(54)53-37-48(34-35-55(53)60)52-39-49(40-18-7-3-8-19-40)38-51(56(52)42-20-9-4-10-21-42)47-27-17-26-46(36-47)41-30-32-45(33-31-41)59-62-57(43-22-11-5-12-23-43)61-58(63-59)44-24-13-6-14-25-44/h3-39H,1-2H3.
What are the key properties of 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 806.03 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177079134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).