N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine

C52H33NO2 — CID 170941628

IUPACN-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine
SMILES[2H]c1cc([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c([2H])c([2H])c7oc8c([2H])c([2H])c([2H])c([2H])c8c7c6c5[2H])cc4)cc3)c3cccc4oc5ccccc5c34)cc2)c([2H])c1
InChIInChI=1S/C52H33NO2/c1-2-9-34(10-3-1)36-23-28-41(29-24-36)53(46-13-8-16-49-52(46)44-12-5-7-15-48(44)54-49)42-30-25-37(26-31-42)35-17-19-38(20-18-35)40-22-21-39-27-32-50-51(45(39)33-40)43-11-4-6-14-47(43)55-50/h1-33H/i1D,4D,6D,9D,10D,11D,14D,27D,32D,33D
InChIKeyNNRUEMQAFOKOGG-OXDSCPSISA-N
MW713.90 g/mol
LogP15.11
Rot. Bonds6

About N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine

N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine (PubChem CID 170941628) has the molecular formula C52H33NO2 and a molecular weight of 713.90 g/mol. Its IUPAC name is N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine
PubChem CID170941628
Molecular FormulaC52H33NO2
Molecular Weight713.90 g/mol
Exact Mass713.31
IUPAC NameN-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine
SMILES[2H]c1cc([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c([2H])c([2H])c7oc8c([2H])c([2H])c([2H])c([2H])c8c7c6c5[2H])cc4)cc3)c3cccc4oc5ccccc5c34)cc2)c([2H])c1
InChIInChI=1S/C52H33NO2/c1-2-9-34(10-3-1)36-23-28-41(29-24-36)53(46-13-8-16-49-52(46)44-12-5-7-15-48(44)54-49)42-30-25-37(26-31-42)35-17-19-38(20-18-35)40-22-21-39-27-32-50-51(45(39)33-40)43-11-4-6-14-47(43)55-50/h1-33H/i1D,4D,6D,9D,10D,11D,14D,27D,32D,33D
InChIKeyNNRUEMQAFOKOGG-OXDSCPSISA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.90
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

N-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7-(1,5,6,11-tetradeuterionaphtho[2,1-b][1]benzofuran-2-yl)naphthalen-2-amine
CID 170941942
2,3,4,5,6-pentadeuterio-N-[4-(1,3,4,5,6,8,9,10,11-nonadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 170941936
4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenylaniline
CID 170941966
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
2,3,4,6,7,8,9-heptadeuterio-N-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177095749
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-dibenzofuran-3-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737779
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738531
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine (CID 170941628) is N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine is [2H]c1cc([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c([2H])c([2H])c7oc8c([2H])c([2H])c([2H])c([2H])c8c7c6c5[2H])cc4)cc3)c3cccc4oc5ccccc5c34)cc2)c([2H])c1.
What is the InChIKey of N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is NNRUEMQAFOKOGG-OXDSCPSISA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-9-34(10-3-1)36-23-28-41(29-24-36)53(46-13-8-16-49-52(46)44-12-5-7-15-48(44)54-49)42-30-25-37(26-31-42)35-17-19-38(20-18-35)40-22-21-39-27-32-50-51(45(39)33-40)43-11-4-6-14-47(43)55-50/h1-33H/i1D,4D,6D,9D,10D,11D,14D,27D,32D,33D.
What are the key properties of N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine?
N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 713.90 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,5,6,8,9,10,11-heptadeuterionaphtho[2,1-b][1]benzofuran-2-yl)phenyl]phenyl]-N-[4-(2,4,6-trideuteriophenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170941628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).