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

C44H31N — CID 171452478

IUPAC2,3,4,5,6,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c([2H])c(-c5ccc6ccccc6c5)c4[2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C44H31N/c1-2-10-32(11-3-1)34-20-22-35(23-21-34)36-26-28-41(29-27-36)45(44-19-9-15-37-13-6-7-18-43(37)44)42-17-8-16-39(31-42)40-25-24-33-12-4-5-14-38(33)30-40/h1-31H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,13D,15D,16D,17D,18D,19D,20D,21D,22D,23D,26D,27D,28D,29D,31D
InChIKeyYGHMHBAERNIEBR-AGCQNLQMSA-N
MW597.89 g/mol
LogP12.46
Rot. Bonds6

About 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

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 (PubChem CID 171452478) has the molecular formula C44H31N and a molecular weight of 597.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,4,5,6,7,8-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
PubChem CID171452478
Molecular FormulaC44H31N
Molecular Weight597.89 g/mol
Exact Mass597.40
IUPAC Name2,3,4,5,6,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c([2H])c(-c5ccc6ccccc6c5)c4[2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C44H31N/c1-2-10-32(11-3-1)34-20-22-35(23-21-34)36-26-28-41(29-27-36)45(44-19-9-15-37-13-6-7-18-43(37)44)42-17-8-16-39(31-42)40-25-24-33-12-4-5-14-38(33)30-40/h1-31H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,13D,15D,16D,17D,18D,19D,20D,21D,22D,23D,26D,27D,28D,29D,31D
InChIKeyYGHMHBAERNIEBR-AGCQNLQMSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.89
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-amine
CID 171451530
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452063
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphthalen-1-amine
CID 171450965
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
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452863
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451945
N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 171451497
2,3,4,6-tetradeuterio-N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452622
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
N-phenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452429
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
N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 171452805

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4c([2H])c([2H])c([2H])c(-c5ccc6ccccc6c5)c4[2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is YGHMHBAERNIEBR-AGCQNLQMSA-N. The full InChI is InChI=1S/C44H31N/c1-2-10-32(11-3-1)34-20-22-35(23-21-34)36-26-28-41(29-27-36)45(44-19-9-15-37-13-6-7-18-43(37)44)42-17-8-16-39(31-42)40-25-24-33-12-4-5-14-38(33)30-40/h1-31H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,13D,15D,16D,17D,18D,19D,20D,21D,22D,23D,26D,27D,28D,29D,31D.
What are the key properties of 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?
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 has a molecular weight of 597.89 g/mol, XLogP of 12.46, 6 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-(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 is sourced from PubChem (CID 171452478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).