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

C51H34N4 — CID 137214911

IUPAC7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)cc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)55-46-21-10-9-19-45(46)48-44-28-26-39(32-41(44)27-29-47(48)55)36-22-23-38-31-40(25-24-37(38)30-36)43-20-11-17-33-12-7-8-18-42(33)43/h1-32,49H,(H,52,53,54)
InChIKeyVHLQYHOEMPHCSI-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.54
Rot. Bonds4

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

7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 137214911) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID137214911
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)cc5ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)55-46-21-10-9-19-45(46)48-44-28-26-39(32-41(44)27-29-47(48)55)36-22-23-38-31-40(25-24-37(38)30-36)43-20-11-17-33-12-7-8-18-42(33)43/h1-32,49H,(H,52,53,54)
InChIKeyVHLQYHOEMPHCSI-UHFFFAOYSA-N
XLogP12.54
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.54
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-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
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
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
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
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
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
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
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
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
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 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) is 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(C2=NC(n3c4ccccc4c4c5ccc(-c6ccc7cc(-c8cccc9ccccc89)ccc7c6)cc5ccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is VHLQYHOEMPHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)55-46-21-10-9-19-45(46)48-44-28-26-39(32-41(44)27-29-47(48)55)36-22-23-38-31-40(25-24-37(38)30-36)43-20-11-17-33-12-7-8-18-42(33)43/h1-32,49H,(H,52,53,54).
What are the key properties of 7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.54, 4 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-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 137214911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).