3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole

C60H42N4 — CID 118507677

IUPAC3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C60H42N4/c1-39-25-31-45(32-26-39)60(46-33-27-40(2)28-34-46)52-23-14-22-50(59-62-57(41-15-6-3-7-16-41)61-58(63-59)42-17-8-4-9-18-42)56(52)49-35-29-44(38-53(49)60)43-30-36-55-51(37-43)48-21-12-13-24-54(48)64(55)47-19-10-5-11-20-47/h3-38H,1-2H3
InChIKeyADGXVDKMCQDPBJ-UHFFFAOYSA-N
MW819.02 g/mol
LogP14.62
Rot. Bonds7

About 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole

3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole (PubChem CID 118507677) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
PubChem CID118507677
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C60H42N4/c1-39-25-31-45(32-26-39)60(46-33-27-40(2)28-34-46)52-23-14-22-50(59-62-57(41-15-6-3-7-16-41)61-58(63-59)42-17-8-4-9-18-42)56(52)49-35-29-44(38-53(49)60)43-30-36-55-51(37-43)48-21-12-13-24-54(48)64(55)47-19-10-5-11-20-47/h3-38H,1-2H3
InChIKeyADGXVDKMCQDPBJ-UHFFFAOYSA-N
XLogP14.62
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 ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
CID 162483839
9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazin-2-yl)carbazole
CID 161476615
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
2-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tritylphenyl]-9-phenylcarbazole
CID 159261393
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 157484543

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole (CID 118507677) is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole is Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1.
What is the InChIKey of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole?
The InChIKey is ADGXVDKMCQDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-39-25-31-45(32-26-39)60(46-33-27-40(2)28-34-46)52-23-14-22-50(59-62-57(41-15-6-3-7-16-41)61-58(63-59)42-17-8-4-9-18-42)56(52)49-35-29-44(38-53(49)60)43-30-36-55-51(37-43)48-21-12-13-24-54(48)64(55)47-19-10-5-11-20-47/h3-38H,1-2H3.
What are the key properties of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole?
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole has a molecular weight of 819.02 g/mol, XLogP of 14.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118507677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).