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

C44H29NO — CID 170941942

IUPACN-(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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc4ccc(-c5ccc6c([2H])c([2H])c7oc8cccc([2H])c8c7c6c5[2H])cc4c3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)c([2H])c1[2H]
InChIInChI=1S/C44H29NO/c1-3-9-30(10-4-1)31-19-23-38(24-20-31)45(37-11-5-2-6-12-37)39-25-21-32-15-17-34(27-36(32)28-39)35-18-16-33-22-26-43-44(41(33)29-35)40-13-7-8-14-42(40)46-43/h1-29H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D,13D,22D,26D,29D
InChIKeyOQUKQRATKMTULC-JYOJHNQPSA-N
MW601.81 g/mol
LogP12.70
Rot. Bonds5

About 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

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 (PubChem CID 170941942) has the molecular formula C44H29NO and a molecular weight of 601.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170941942
Molecular FormulaC44H29NO
Molecular Weight601.81 g/mol
Exact Mass601.31
IUPAC NameN-(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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc4ccc(-c5ccc6c([2H])c([2H])c7oc8cccc([2H])c8c7c6c5[2H])cc4c3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)c([2H])c1[2H]
InChIInChI=1S/C44H29NO/c1-3-9-30(10-4-1)31-19-23-38(24-20-31)45(37-11-5-2-6-12-37)39-25-21-32-15-17-34(27-36(32)28-39)35-18-16-33-22-26-43-44(41(33)29-35)40-13-7-8-14-42(40)46-43/h1-29H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D,13D,22D,26D,29D
InChIKeyOQUKQRATKMTULC-JYOJHNQPSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.81
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-[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
3,5-dideuterio-4-[3,4,5,6,8,10-hexadeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)naphtho[2,1-b][1]benzofuran-9-yl]-N,N-bis(4-phenylphenyl)aniline
CID 177130822
7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 177287427
N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287348
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451203
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452428
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
N-[16-(2,3,4,5,6-pentadeuteriophenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032595
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc4ccc(-c5ccc6c([2H])c([2H])c7oc8cccc([2H])c8c7c6c5[2H])cc4c3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is OQUKQRATKMTULC-JYOJHNQPSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-9-30(10-4-1)31-19-23-38(24-20-31)45(37-11-5-2-6-12-37)39-25-21-32-15-17-34(27-36(32)28-39)35-18-16-33-22-26-43-44(41(33)29-35)40-13-7-8-14-42(40)46-43/h1-29H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D,13D,22D,26D,29D.
What are the key properties of 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?
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 has a molecular weight of 601.81 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170941942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).