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

C52H36N4 — CID 145327636

IUPAC3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)41-27-24-37(32-45(41)52)36-25-28-47-42(30-36)43-31-38(26-29-48(43)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
InChIKeyLSYLRLCLORVZHN-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.10
Rot. Bonds5

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

3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole (PubChem CID 145327636) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
PubChem CID145327636
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)41-27-24-37(32-45(41)52)36-25-28-47-42(30-36)43-31-38(26-29-48(43)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
InChIKeyLSYLRLCLORVZHN-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

6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 167237394
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
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
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
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

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole (CID 145327636) is 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3cccc4ccccc34)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
The InChIKey is LSYLRLCLORVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-52(2)44-22-12-11-21-40(44)41-27-24-37(32-45(41)52)36-25-28-47-42(30-36)43-31-38(26-29-48(43)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 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole?
3-(9,9-dimethylfluoren-2-yl)-6-(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 3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 145327636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).