N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

C50H35NO — CID 170526273

IUPACN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C50H35NO/c1-3-10-36(11-4-1)39-22-28-46(29-23-39)51(47-30-24-40(25-31-47)37-12-5-2-6-13-37)48-32-26-41(27-33-48)38-18-20-42(21-19-38)43-15-9-16-44(34-43)50-35-45-14-7-8-17-49(45)52-50/h1-35H/i22D,23D,24D,25D,28D,29D,30D,31D
InChIKeyXUXXHUUKGGPENM-MCEPZVRCSA-N
MW673.88 g/mol
LogP14.24
Rot. Bonds8

About N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (PubChem CID 170526273) has the molecular formula C50H35NO and a molecular weight of 673.88 g/mol. Its IUPAC name is N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
PubChem CID170526273
Molecular FormulaC50H35NO
Molecular Weight673.88 g/mol
Exact Mass673.32
IUPAC NameN-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C50H35NO/c1-3-10-36(11-4-1)39-22-28-46(29-23-39)51(47-30-24-40(25-31-47)37-12-5-2-6-13-37)48-32-26-41(27-33-48)38-18-20-42(21-19-38)43-15-9-16-44(34-43)50-35-45-14-7-8-17-49(45)52-50/h1-35H/i22D,23D,24D,25D,28D,29D,30D,31D
InChIKeyXUXXHUUKGGPENM-MCEPZVRCSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.88
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (CID 170526273) is N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The InChIKey is XUXXHUUKGGPENM-MCEPZVRCSA-N. The full InChI is InChI=1S/C50H35NO/c1-3-10-36(11-4-1)39-22-28-46(29-23-39)51(47-30-24-40(25-31-47)37-12-5-2-6-13-37)48-32-26-41(27-33-48)38-18-20-42(21-19-38)43-15-9-16-44(34-43)50-35-45-14-7-8-17-49(45)52-50/h1-35H/i22D,23D,24D,25D,28D,29D,30D,31D.
What are the key properties of N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline has a molecular weight of 673.88 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is sourced from PubChem (CID 170526273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).