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

C52H36N4 — CID 145327658

IUPAC6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)42-30-36(25-28-45(42)52)37-26-29-47-43(31-37)41-27-24-38(32-48(41)56(47)46-23-13-19-33-14-9-10-20-39(33)46)51-54-49(34-15-5-3-6-16-34)53-50(55-51)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyGFEUDBIYHRIUIZ-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.10
Rot. Bonds5

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

6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 145327658) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
PubChem CID145327658
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)42-30-36(25-28-45(42)52)37-26-29-47-43(31-37)41-27-24-38(32-48(41)56(47)46-23-13-19-33-14-9-10-20-39(33)46)51-54-49(34-15-5-3-6-16-34)53-50(55-51)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyGFEUDBIYHRIUIZ-UHFFFAOYSA-N
XLogP13.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327636
2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)carbazole;2-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-ylcarbazole;2-(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 161236957
6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327601
6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327523
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
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

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole (CID 145327658) is 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3n4-c3cccc4ccccc34)ccc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is GFEUDBIYHRIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)42-30-36(25-28-45(42)52)37-26-29-47-43(31-37)41-27-24-38(32-48(41)56(47)46-23-13-19-33-14-9-10-20-39(33)46)51-54-49(34-15-5-3-6-16-34)53-50(55-51)35-17-7-4-8-18-35/h3-32H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole has a molecular weight of 716.89 g/mol, XLogP of 13.10, 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)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 145327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).