N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine

C44H29NO — CID 177287250

IUPACN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c([2H])c3[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C44H29NO/c1-2-13-33(14-3-1)44-37-17-7-5-12-31(37)23-27-38(44)32-21-24-34(25-22-32)45(41-19-10-15-30-11-4-6-16-36(30)41)35-26-28-40-39-18-8-9-20-42(39)46-43(40)29-35/h1-29H/i1D,2D,3D,5D,7D,12D,13D,14D,17D,21D,22D,23D,24D,25D,27D
InChIKeySKXYOCARVZQSQH-HZKSVCRDSA-N
MW602.81 g/mol
LogP12.70
Rot. Bonds5

About N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine

N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 177287250) has the molecular formula C44H29NO and a molecular weight of 602.81 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID177287250
Molecular FormulaC44H29NO
Molecular Weight602.81 g/mol
Exact Mass602.32
IUPAC NameN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c([2H])c3[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C44H29NO/c1-2-13-33(14-3-1)44-37-17-7-5-12-31(37)23-27-38(44)32-21-24-34(25-22-32)45(41-19-10-15-30-11-4-6-16-36(30)41)35-26-28-40-39-18-8-9-20-42(39)46-43(40)29-35/h1-29H/i1D,2D,3D,5D,7D,12D,13D,14D,17D,21D,22D,23D,24D,25D,27D
InChIKeySKXYOCARVZQSQH-HZKSVCRDSA-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 ≤ 500602.81
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine
CID 177287438
N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287271
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676895
N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170676838
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
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
6-phenyl-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287422
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 171597225
N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738724

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine (CID 177287250) is N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c([2H])c3[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].
What is the InChIKey of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is SKXYOCARVZQSQH-HZKSVCRDSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-13-33(14-3-1)44-37-17-7-5-12-31(37)23-27-38(44)32-21-24-34(25-22-32)45(41-19-10-15-30-11-4-6-16-36(30)41)35-26-28-40-39-18-8-9-20-42(39)46-43(40)29-35/h1-29H/i1D,2D,3D,5D,7D,12D,13D,14D,17D,21D,22D,23D,24D,25D,27D.
What are the key properties of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 602.81 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-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177287250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).