N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine

C55H40N4O — CID 154968660

IUPACN-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=Cc2ccc(N(c3ccc4ccccc4c3)c3cc4oc5c(C6=NC(c7ccccc7)NC(c7ccc8ccccc8c7)N6)cccc5c4c4ccccc34)cc2CC1
InChIInChI=1S/C55H40N4O/c1-2-16-38(17-3-1)53-56-54(42-26-25-35-13-4-7-18-39(35)31-42)58-55(57-53)48-24-12-23-47-51-46-22-11-10-21-45(46)49(34-50(51)60-52(47)48)59(43-29-27-36-14-5-8-19-40(36)32-43)44-30-28-37-15-6-9-20-41(37)33-44/h1-8,10-19,21-34,53-54,56H,9,20H2,(H,57,58)
InChIKeyCACUEOVUNCAMJV-UHFFFAOYSA-N
MW772.95 g/mol
LogP13.81
Rot. Bonds6

About N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine

N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 154968660) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID154968660
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC NameN-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=Cc2ccc(N(c3ccc4ccccc4c3)c3cc4oc5c(C6=NC(c7ccccc7)NC(c7ccc8ccccc8c7)N6)cccc5c4c4ccccc34)cc2CC1
InChIInChI=1S/C55H40N4O/c1-2-16-38(17-3-1)53-56-54(42-26-25-35-13-4-7-18-39(35)31-42)58-55(57-53)48-24-12-23-47-51-46-22-11-10-21-45(46)49(34-50(51)60-52(47)48)59(43-29-27-36-14-5-8-19-40(36)32-43)44-30-28-37-15-6-9-20-41(37)33-44/h1-8,10-19,21-34,53-54,56H,9,20H2,(H,57,58)
InChIKeyCACUEOVUNCAMJV-UHFFFAOYSA-N
XLogP13.81
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 513.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine 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
9-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-N,N-diphenyldibenzofuran-4-amine
CID 166975821
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89152058
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163856482
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
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
6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801479

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine (CID 154968660) is N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine is C1=Cc2ccc(N(c3ccc4ccccc4c3)c3cc4oc5c(C6=NC(c7ccccc7)NC(c7ccc8ccccc8c7)N6)cccc5c4c4ccccc34)cc2CC1.
What is the InChIKey of N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is CACUEOVUNCAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O/c1-2-16-38(17-3-1)53-56-54(42-26-25-35-13-4-7-18-39(35)31-42)58-55(57-53)48-24-12-23-47-51-46-22-11-10-21-45(46)49(34-50(51)60-52(47)48)59(43-29-27-36-14-5-8-19-40(36)32-43)44-30-28-37-15-6-9-20-41(37)33-44/h1-8,10-19,21-34,53-54,56H,9,20H2,(H,57,58).
What are the key properties of N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine?
N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 772.95 g/mol, XLogP of 13.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-8-(2-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 154968660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).