7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole

C51H34N4O — CID 156549130

IUPAC7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cccc4oc5cc(-n6c7ccccc7c7c8ccccc8ccc76)c6ccccc6c5c34)N2)cc1
InChIInChI=1S/C51H34N4O/c1-2-15-33(16-3-1)49-52-50(35-26-25-31-13-4-5-17-34(31)29-35)54-51(53-49)40-22-12-24-44-48(40)47-38-20-9-8-19-37(38)43(30-45(47)56-44)55-41-23-11-10-21-39(41)46-36-18-7-6-14-32(36)27-28-42(46)55/h1-30,50-51,54H,(H,52,53)
InChIKeyJRFJOPSKVIAAFJ-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.48
Rot. Bonds4

About 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole

7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole (PubChem CID 156549130) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole
PubChem CID156549130
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cccc4oc5cc(-n6c7ccccc7c7c8ccccc8ccc76)c6ccccc6c5c34)N2)cc1
InChIInChI=1S/C51H34N4O/c1-2-15-33(16-3-1)49-52-50(35-26-25-31-13-4-5-17-34(31)29-35)54-51(53-49)40-22-12-24-44-48(40)47-38-20-9-8-19-37(38)43(30-45(47)56-44)55-41-23-11-10-21-39(41)46-36-18-7-6-14-32(36)27-28-42(46)55/h1-30,50-51,54H,(H,52,53)
InChIKeyJRFJOPSKVIAAFJ-UHFFFAOYSA-N
XLogP12.48
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole with MolForge

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Related Compounds

11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 156549186
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
4-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)-3-[6-phenyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]aniline
CID 163927158
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
12-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydropyrimidin-6-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156331
12-[11-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 167363484
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
7-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166802061
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978

Frequently Asked Questions

What is the IUPAC name of 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole?
The IUPAC name of 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole (CID 156549130) is 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole?
The canonical SMILES for 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole is c1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3cccc4oc5cc(-n6c7ccccc7c7c8ccccc8ccc76)c6ccccc6c5c34)N2)cc1.
What is the InChIKey of 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole?
The InChIKey is JRFJOPSKVIAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-2-15-33(16-3-1)49-52-50(35-26-25-31-13-4-5-17-34(31)29-35)54-51(53-49)40-22-12-24-44-48(40)47-38-20-9-8-19-37(38)43(30-45(47)56-44)55-41-23-11-10-21-39(41)46-36-18-7-6-14-32(36)27-28-42(46)55/h1-30,50-51,54H,(H,52,53).
What are the key properties of 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole?
7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[11-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[c]carbazole is sourced from PubChem (CID 156549130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).