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

C60H42N4 — CID 155087439

IUPAC9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21
InChIInChI=1S/C60H42N4/c1-60(2)52-24-14-12-22-48(52)49-35-34-47(38-53(49)60)64-54-25-15-13-23-50(54)56-51(42-18-8-4-9-19-42)36-46(37-55(56)64)41-28-32-45(33-29-41)59-62-57(43-20-10-5-11-21-43)61-58(63-59)44-30-26-40(27-31-44)39-16-6-3-7-17-39/h3-38H,1-2H3
InChIKeyLUIMPQCYVAERIB-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.28
Rot. Bonds7

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

9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 155087439) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID155087439
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21
InChIInChI=1S/C60H42N4/c1-60(2)52-24-14-12-22-48(52)49-35-34-47(38-53(49)60)64-54-25-15-13-23-50(54)56-51(42-18-8-4-9-19-42)36-46(37-55(56)64)41-28-32-45(33-29-41)59-62-57(43-20-10-5-11-21-43)61-58(63-59)44-30-26-40(27-31-44)39-16-6-3-7-17-39/h3-38H,1-2H3
InChIKeyLUIMPQCYVAERIB-UHFFFAOYSA-N
XLogP15.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
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
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 158997353
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
4-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 162775342
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 146617191

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 155087439) is 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5ccccc5)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is LUIMPQCYVAERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-60(2)52-24-14-12-22-48(52)49-35-34-47(38-53(49)60)64-54-25-15-13-23-50(54)56-51(42-18-8-4-9-19-42)36-46(37-55(56)64)41-28-32-45(33-29-41)59-62-57(43-20-10-5-11-21-43)61-58(63-59)44-30-26-40(27-31-44)39-16-6-3-7-17-39/h3-38H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 819.02 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155087439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).