3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole

C50H36N4 — CID 154596557

IUPAC3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
SMILESCC1(C)c2cc(-c3cccc(-c4cn(-c5ccccc5)c5ccccc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C50H36N4/c1-50(2)44-30-36(35-19-14-20-37(29-35)43-32-54(39-21-10-5-11-22-39)46-24-13-12-23-42(43)46)25-27-40(44)41-28-26-38(31-45(41)50)49-52-47(33-15-6-3-7-16-33)51-48(53-49)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyJPFBCDVASRLYHA-UHFFFAOYSA-N
MW692.87 g/mol
LogP12.46
Rot. Bonds6

About 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole

3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole (PubChem CID 154596557) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole.

Molecular Properties

Compound Name3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
PubChem CID154596557
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
SMILESCC1(C)c2cc(-c3cccc(-c4cn(-c5ccccc5)c5ccccc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C50H36N4/c1-50(2)44-30-36(35-19-14-20-37(29-35)43-32-54(39-21-10-5-11-22-39)46-24-13-12-23-42(43)46)25-27-40(44)41-28-26-38(31-45(41)50)49-52-47(33-15-6-3-7-16-33)51-48(53-49)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyJPFBCDVASRLYHA-UHFFFAOYSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.87
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123326933
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[4-[4-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 159401121
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole?
The IUPAC name of 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole (CID 154596557) is 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole.
What is the SMILES notation for 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole?
The canonical SMILES for 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole is CC1(C)c2cc(-c3cccc(-c4cn(-c5ccccc5)c5ccccc45)c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole?
The InChIKey is JPFBCDVASRLYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4/c1-50(2)44-30-36(35-19-14-20-37(29-35)43-32-54(39-21-10-5-11-22-39)46-24-13-12-23-42(43)46)25-27-40(44)41-28-26-38(31-45(41)50)49-52-47(33-15-6-3-7-16-33)51-48(53-49)34-17-8-4-9-18-34/h3-32H,1-2H3.
What are the key properties of 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole?
3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole has a molecular weight of 692.87 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole is sourced from PubChem (CID 154596557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).