7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole

C41H28N4 — CID 137214887

IUPAC7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C41H28N4/c1-3-13-28(14-4-1)39-42-40(29-15-5-2-6-16-29)44-41(43-39)45-36-21-10-9-19-35(36)38-34-24-22-30(26-31(34)23-25-37(38)45)33-20-11-17-27-12-7-8-18-32(27)33/h1-26,39H,(H,42,43,44)
InChIKeyMKOPGNKWJYRSGT-UHFFFAOYSA-N
MW576.70 g/mol
LogP9.72
Rot. Bonds3

About 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole

7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole (PubChem CID 137214887) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
PubChem CID137214887
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C41H28N4/c1-3-13-28(14-4-1)39-42-40(29-15-5-2-6-16-29)44-41(43-39)45-36-21-10-9-19-35(36)38-34-24-22-30(26-31(34)23-25-37(38)45)33-20-11-17-27-12-7-8-18-32(27)33/h1-26,39H,(H,42,43,44)
InChIKeyMKOPGNKWJYRSGT-UHFFFAOYSA-N
XLogP9.72
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 59.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-(2,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167154552
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032343
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 154618864
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole?
The IUPAC name of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole (CID 137214887) is 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole.
What is the SMILES notation for 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole?
The canonical SMILES for 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole is c1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6cccc7ccccc67)cc5ccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole?
The InChIKey is MKOPGNKWJYRSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-3-13-28(14-4-1)39-42-40(29-15-5-2-6-16-29)44-41(43-39)45-36-21-10-9-19-35(36)38-34-24-22-30(26-31(34)23-25-37(38)45)33-20-11-17-27-12-7-8-18-32(27)33/h1-26,39H,(H,42,43,44).
What are the key properties of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole?
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole has a molecular weight of 576.70 g/mol, XLogP of 9.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole is sourced from PubChem (CID 137214887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).