N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide

C46H33N5O2 — CID 167485211

IUPACN-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide
SMILESCNc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)n3)c2)cc1N(C)C=O
InChIInChI=1S/C46H33N5O2/c1-47-39-25-23-32(27-40(39)51(2)28-52)31-15-10-16-33(26-31)45-48-44(30-13-4-3-5-14-30)49-46(50-45)37-19-9-8-18-35(37)36-20-11-21-41-42(36)38-24-22-29-12-6-7-17-34(29)43(38)53-41/h3-28,47H,1-2H3
InChIKeyCQIFMVPOQODMDD-UHFFFAOYSA-N
MW687.80 g/mol
LogP10.89
Rot. Bonds8

About N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide

N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide (PubChem CID 167485211) has the molecular formula C46H33N5O2 and a molecular weight of 687.80 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide
PubChem CID167485211
Molecular FormulaC46H33N5O2
Molecular Weight687.80 g/mol
Exact Mass687.26
IUPAC NameN-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide
SMILESCNc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)n3)c2)cc1N(C)C=O
InChIInChI=1S/C46H33N5O2/c1-47-39-25-23-32(27-40(39)51(2)28-52)31-15-10-16-33(26-31)45-48-44(30-13-4-3-5-14-30)49-46(50-45)37-19-9-8-18-35(37)36-20-11-21-41-42(36)38-24-22-29-12-6-7-17-34(29)43(38)53-41/h3-28,47H,1-2H3
InChIKeyCQIFMVPOQODMDD-UHFFFAOYSA-N
XLogP10.89
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.80
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(methylamino)-4-[3-[4-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide
CID 167485576
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278839
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-dibenzofuran-3-yl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(4-naphthalen-1-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164954523
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808339

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide (CID 167485211) is N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide is CNc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)n3)c2)cc1N(C)C=O.
What is the InChIKey of N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide?
The InChIKey is CQIFMVPOQODMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5O2/c1-47-39-25-23-32(27-40(39)51(2)28-52)31-15-10-16-33(26-31)45-48-44(30-13-4-3-5-14-30)49-46(50-45)37-19-9-8-18-35(37)36-20-11-21-41-42(36)38-24-22-29-12-6-7-17-34(29)43(38)53-41/h3-28,47H,1-2H3.
What are the key properties of N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide?
N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide has a molecular weight of 687.80 g/mol, XLogP of 10.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-5-[3-[4-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]formamide is sourced from PubChem (CID 167485211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).