3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C50H46N4 — CID 126543834

IUPAC3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2
InChIInChI=1S/C50H46N4/c1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35/h9-30H,1-8H3
InChIKeyXPVUUYMFNYMBQW-UHFFFAOYSA-N
MW702.95 g/mol
LogP12.87
Rot. Bonds4

About 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 126543834) has the molecular formula C50H46N4 and a molecular weight of 702.95 g/mol. Its IUPAC name is 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID126543834
Molecular FormulaC50H46N4
Molecular Weight702.95 g/mol
Exact Mass702.37
IUPAC Name3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2
InChIInChI=1S/C50H46N4/c1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35/h9-30H,1-8H3
InChIKeyXPVUUYMFNYMBQW-UHFFFAOYSA-N
XLogP12.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 157129034
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
CID 170925439
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
3-[21-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-6-heptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21,24,26,28-tetradecaenyl]-9-phenylcarbazole
CID 138727050
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
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
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 126543834) is 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2.
What is the InChIKey of 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is XPVUUYMFNYMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4/c1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35/h9-30H,1-8H3.
What are the key properties of 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 702.95 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 126543834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).