3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C81H57N5 — CID 134236850

IUPAC3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21
InChIInChI=1S/C81H57N5/c1-80(2)69-30-15-11-26-60(69)62-40-35-55(48-71(62)80)53-37-42-75-66(45-53)64-28-13-17-32-73(64)85(75)58-25-19-24-57(44-58)77-82-78(68-47-52(50-20-7-5-8-21-50)34-39-59(68)51-22-9-6-10-23-51)84-79(83-77)86-74-33-18-14-29-65(74)67-46-54(38-43-76(67)86)56-36-41-63-61-27-12-16-31-70(61)81(3,4)72(63)49-56/h5-49H,1-4H3
InChIKeyXKEGVZMYJLFZSV-UHFFFAOYSA-N
MW1100.38 g/mol
LogP20.68
Rot. Bonds8

About 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 134236850) has the molecular formula C81H57N5 and a molecular weight of 1100.38 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID134236850
Molecular FormulaC81H57N5
Molecular Weight1100.38 g/mol
Exact Mass1099.46
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21
InChIInChI=1S/C81H57N5/c1-80(2)69-30-15-11-26-60(69)62-40-35-55(48-71(62)80)53-37-42-75-66(45-53)64-28-13-17-32-73(64)85(75)58-25-19-24-57(44-58)77-82-78(68-47-52(50-20-7-5-8-21-50)34-39-59(68)51-22-9-6-10-23-51)84-79(83-77)86-74-33-18-14-29-65(74)67-46-54(38-43-76(67)86)56-36-41-63-61-27-12-16-31-70(61)81(3,4)72(63)49-56/h5-49H,1-4H3
InChIKeyXKEGVZMYJLFZSV-UHFFFAOYSA-N
XLogP20.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.38
LogP ≤ 520.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
CID 134237011
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 134236850) is 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is XKEGVZMYJLFZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N5/c1-80(2)69-30-15-11-26-60(69)62-40-35-55(48-71(62)80)53-37-42-75-66(45-53)64-28-13-17-32-73(64)85(75)58-25-19-24-57(44-58)77-82-78(68-47-52(50-20-7-5-8-21-50)34-39-59(68)51-22-9-6-10-23-51)84-79(83-77)86-74-33-18-14-29-65(74)67-46-54(38-43-76(67)86)56-36-41-63-61-27-12-16-31-70(61)81(3,4)72(63)49-56/h5-49H,1-4H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1100.38 g/mol, XLogP of 20.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134236850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).