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

C50H34N4 — CID 90276293

IUPAC2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-25-22-31-13-11-12-20-38(31)46(42)39-24-21-37(29-43(39)50)36-23-26-44-40(28-36)41-27-34-18-9-10-19-35(34)30-45(41)54(44)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyPXFZODLVSFCFCF-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.58
Rot. Bonds4

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

2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 90276293) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID90276293
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-25-22-31-13-11-12-20-38(31)46(42)39-24-21-37(29-43(39)50)36-23-26-44-40(28-36)41-27-34-18-9-10-19-35(34)30-45(41)54(44)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyPXFZODLVSFCFCF-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

4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142570065
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
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
2-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150871
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
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-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 129290192
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 159773726
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122464806
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
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
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)benzo[b]carbazole;ethane
CID 142569829

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 90276293) is 2-(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 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is PXFZODLVSFCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-50(2)42-25-22-31-13-11-12-20-38(31)46(42)39-24-21-37(29-43(39)50)36-23-26-44-40(28-36)41-27-34-18-9-10-19-35(34)30-45(41)54(44)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3.
What are the key properties of 2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
2-(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 2-(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 90276293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).