2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine

C22H17N — CID 164831646

IUPAC2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C22H17N/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D
InChIKeyFGGAOQTXQHKQOW-YQVJVJADSA-N
MW312.49 g/mol
LogP6.31
Rot. Bonds3

About 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine

2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine (PubChem CID 164831646) has the molecular formula C22H17N and a molecular weight of 312.49 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine
PubChem CID164831646
Molecular FormulaC22H17N
Molecular Weight312.49 g/mol
Exact Mass312.24
IUPAC Name2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C22H17N/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D
InChIKeyFGGAOQTXQHKQOW-YQVJVJADSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6,7,8-heptadeuterio-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine
CID 171452478
2,3,4,5,6,7,8-heptadeuterio-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 171451810
2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphthalen-1-amine
CID 171451355
2,3,4,5,6,7,8-heptadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 171451609
2,3,4,5,6,7,8-heptadeuterio-N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 171452154
2,3,4,5,6,7,8-heptadeuterio-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 171452674
2,5,6,7,8,12,15,17,18,19,20-undecadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-amine
CID 170779649
2,3,5,6-tetradeuterio-N-[3,5-dideuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[3,5-dideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)aniline
CID 168759250
1-N,6-N-bis(3-fluorophenyl)-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59222089
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737646
2,3,6,7,8,9-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4,6-tetradeuterio-5-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 177069285
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171451041

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine?
The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine (CID 164831646) is 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine.
What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine?
The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine?
The InChIKey is FGGAOQTXQHKQOW-YQVJVJADSA-N. The full InChI is InChI=1S/C22H17N/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D.
What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine?
2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine has a molecular weight of 312.49 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptadeuterio-N,N-bis(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-amine is sourced from PubChem (CID 164831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).