N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine

C42H27NO2 — CID 171452943

IUPACN-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)oc2ccccc23)c2c([2H])c([2H])c(-c3ccc4c(c3)oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C42H27NO2/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-25-38-36-11-5-7-13-40(36)45-42(38)27-34)33-21-16-30(17-22-33)31-18-24-37-35-10-4-6-12-39(35)44-41(37)26-31/h1-27H/i14D,15D,16D,17D,19D,20D,21D,22D
InChIKeySZTCFGANSXHHCK-RFBZRUDWSA-N
MW585.73 g/mol
LogP12.29
Rot. Bonds5

About N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine

N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 171452943) has the molecular formula C42H27NO2 and a molecular weight of 585.73 g/mol. Its IUPAC name is N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
PubChem CID171452943
Molecular FormulaC42H27NO2
Molecular Weight585.73 g/mol
Exact Mass585.25
IUPAC NameN-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)oc2ccccc23)c2c([2H])c([2H])c(-c3ccc4c(c3)oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C42H27NO2/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-25-38-36-11-5-7-13-40(36)45-42(38)27-34)33-21-16-30(17-22-33)31-18-24-37-35-10-4-6-12-39(35)44-41(37)26-31/h1-27H/i14D,15D,16D,17D,19D,20D,21D,22D
InChIKeySZTCFGANSXHHCK-RFBZRUDWSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451079
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine (CID 171452943) is N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)oc2ccccc23)c2c([2H])c([2H])c(-c3ccc4c(c3)oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is SZTCFGANSXHHCK-RFBZRUDWSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-25-38-36-11-5-7-13-40(36)45-42(38)27-34)33-21-16-30(17-22-33)31-18-24-37-35-10-4-6-12-39(35)44-41(37)26-31/h1-27H/i14D,15D,16D,17D,19D,20D,21D,22D.
What are the key properties of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine?
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 585.73 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 171452943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).