6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C48H34N4 — CID 145327523

IUPAC6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H34N4/c1-48(2)41-24-13-12-21-36(41)39-29-33(25-27-42(39)48)34-26-28-43-40(30-34)37-22-14-23-38(44(37)52(43)35-19-10-5-11-20-35)47-50-45(31-15-6-3-7-16-31)49-46(51-47)32-17-8-4-9-18-32/h3-30H,1-2H3
InChIKeyLVEALMNEQWOBBU-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.94
Rot. Bonds5

About 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 145327523) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID145327523
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H34N4/c1-48(2)41-24-13-12-21-36(41)39-29-33(25-27-42(39)48)34-26-28-43-40(30-34)37-22-14-23-38(44(37)52(43)35-19-10-5-11-20-35)47-50-45(31-15-6-3-7-16-31)49-46(51-47)32-17-8-4-9-18-32/h3-30H,1-2H3
InChIKeyLVEALMNEQWOBBU-UHFFFAOYSA-N
XLogP11.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole
CID 145327412
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
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
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
7,7-dimethyl-5-phenyl-2-[4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 90059506
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 145327523) is 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3n4-c3ccccc3)ccc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is LVEALMNEQWOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)41-24-13-12-21-36(41)39-29-33(25-27-42(39)48)34-26-28-43-40(30-34)37-22-14-23-38(44(37)52(43)35-19-10-5-11-20-35)47-50-45(31-15-6-3-7-16-31)49-46(51-47)32-17-8-4-9-18-32/h3-30H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 666.83 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 145327523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).