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

C54H36N4S — CID 146617191

IUPAC9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)n5)cc43)cc21
InChIInChI=1S/C54H36N4S/c1-54(2)45-25-11-9-19-38(45)39-30-28-36(32-46(39)54)58-47-26-12-10-20-40(47)41-29-27-35(31-48(41)58)52-55-51(34-17-7-4-8-18-34)56-53(57-52)44-24-14-23-43-42-22-13-21-37(49(42)59-50(43)44)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyZOWKSUALNKCWAE-UHFFFAOYSA-N
MW772.98 g/mol
LogP14.31
Rot. Bonds5

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

9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 146617191) has the molecular formula C54H36N4S and a molecular weight of 772.98 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID146617191
Molecular FormulaC54H36N4S
Molecular Weight772.98 g/mol
Exact Mass772.27
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)n5)cc43)cc21
InChIInChI=1S/C54H36N4S/c1-54(2)45-25-11-9-19-38(45)39-30-28-36(32-46(39)54)58-47-26-12-10-20-40(47)41-29-27-35(31-48(41)58)52-55-51(34-17-7-4-8-18-34)56-53(57-52)44-24-14-23-43-42-22-13-21-37(49(42)59-50(43)44)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyZOWKSUALNKCWAE-UHFFFAOYSA-N
XLogP14.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.98
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 118651092
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-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166952811
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 160969418
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole
CID 126580282
9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577869
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
5-(9,9-dimethylfluoren-2-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-3-yl)-11-(4-phenylquinazolin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158629951
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
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
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
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 146617191) is 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)n5)cc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is ZOWKSUALNKCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4S/c1-54(2)45-25-11-9-19-38(45)39-30-28-36(32-46(39)54)58-47-26-12-10-20-40(47)41-29-27-35(31-48(41)58)52-55-51(34-17-7-4-8-18-34)56-53(57-52)44-24-14-23-43-42-22-13-21-37(49(42)59-50(43)44)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 772.98 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-2-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146617191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).