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

C48H34N4 — CID 167378818

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c21
InChIInChI=1S/C48H34N4/c1-48(2)39-26-14-12-23-36(39)43-38(47-50-45(31-17-6-3-7-18-31)49-46(51-47)32-19-8-4-9-20-32)30-29-35(44(43)48)34-25-16-28-41-42(34)37-24-13-15-27-40(37)52(41)33-21-10-5-11-22-33/h3-30H,1-2H3
InChIKeyYQBPGTJILCDBNU-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.94
Rot. Bonds5

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

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole (PubChem CID 167378818) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
PubChem CID167378818
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c21
InChIInChI=1S/C48H34N4/c1-48(2)39-26-14-12-23-36(39)43-38(47-50-45(31-17-6-3-7-18-31)49-46(51-47)32-19-8-4-9-20-32)30-29-35(44(43)48)34-25-16-28-41-42(34)37-24-13-15-27-40(37)52(41)33-21-10-5-11-22-33/h3-30H,1-2H3
InChIKeyYQBPGTJILCDBNU-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

5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635809
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635822
9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174274717
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
24,24-dimethyl-3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593145
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 160969457
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735
4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole
CID 170567720
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole (CID 167378818) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c21.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole?
The InChIKey is YQBPGTJILCDBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)39-26-14-12-23-36(39)43-38(47-50-45(31-17-6-3-7-18-31)49-46(51-47)32-19-8-4-9-20-32)30-29-35(44(43)48)34-25-16-28-41-42(34)37-24-13-15-27-40(37)52(41)33-21-10-5-11-22-33/h3-30H,1-2H3.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-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 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 167378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).