1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C50H34N4 — CID 142571330

IUPAC1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCC1(C)c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-27-26-35(30-41(42)45-37-18-9-8-14-32(37)25-28-43(45)50)38-20-12-21-40-39-19-10-11-22-44(39)54(46(38)40)49-52-47(33-15-4-3-5-16-33)51-48(53-49)36-24-23-31-13-6-7-17-34(31)29-36/h3-30H,1-2H3
InChIKeyKXRLDWCLVUZHOD-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.58
Rot. Bonds4

About 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 142571330) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID142571330
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCC1(C)c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C50H34N4/c1-50(2)42-27-26-35(30-41(42)45-37-18-9-8-14-32(37)25-28-43(45)50)38-20-12-21-40-39-19-10-11-22-44(39)54(46(38)40)49-52-47(33-15-4-3-5-16-33)51-48(53-49)36-24-23-31-13-6-7-17-34(31)29-36/h3-30H,1-2H3
InChIKeyKXRLDWCLVUZHOD-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
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
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
24,24-dimethyl-3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 146741205
1-(9,9-dimethylfluoren-1-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-2-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-3-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-4-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 157312768
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-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)benzo[b]carbazole;ethane
CID 142569829
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
CID 163654534
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 142571330) is 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is CC1(C)c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is KXRLDWCLVUZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-50(2)42-27-26-35(30-41(42)45-37-18-9-8-14-32(37)25-28-43(45)50)38-20-12-21-40-39-19-10-11-22-44(39)54(46(38)40)49-52-47(33-15-4-3-5-16-33)51-48(53-49)36-24-23-31-13-6-7-17-34(31)29-36/h3-30H,1-2H3.
What are the key properties of 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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 1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 142571330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).