4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

C50H34N4 — CID 142570065

IUPAC4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-27-25-31-14-11-12-21-37(31)45(42)40-26-24-36(29-43(40)50)38-22-13-23-39-41-28-34-19-9-10-20-35(34)30-44(41)54(46(38)39)49-52-47(32-15-5-3-6-16-32)51-48(53-49)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyXDTIPBATCJYDHE-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.58
Rot. Bonds4

About 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 142570065) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID142570065
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-27-25-31-14-11-12-21-37(31)45(42)40-26-24-36(29-43(40)50)38-22-13-23-39-41-28-34-19-9-10-20-35(34)30-44(41)54(46(38)39)49-52-47(32-15-5-3-6-16-32)51-48(53-49)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyXDTIPBATCJYDHE-UHFFFAOYSA-N
XLogP12.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)benzo[b]carbazole;ethane
CID 142569829
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 90276293
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 142571330
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)benzo[b]carbazol-5-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142571900
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571600
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 142570065) is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is CC1(C)c2cc(-c3cccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is XDTIPBATCJYDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-50(2)42-27-25-31-14-11-12-21-37(31)45(42)40-26-24-36(29-43(40)50)38-22-13-23-39-41-28-34-19-9-10-20-35(34)30-44(41)54(46(38)39)49-52-47(32-15-5-3-6-16-32)51-48(53-49)33-17-7-4-8-18-33/h3-30H,1-2H3.
What are the key properties of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 690.85 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 142570065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).