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

C56H37NO — CID 177287422

IUPAC6-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5c(-c7ccccc7)cccc56)c5ccc(-c6ccccc6)c6ccccc56)c([2H])c4[2H])c([2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-23-25-45-36-43(24-26-44(45)35-42)39-27-29-46(30-28-39)57(54-34-33-48(40-15-6-2-7-16-40)50-19-10-11-20-51(50)54)47-31-32-52-53-22-12-21-49(41-17-8-3-9-18-41)56(53)58-55(52)37-47/h1-37H/i1D,4D,5D,13D,14D,23D,24D,25D,26D,27D,28D,29D,30D,35D,36D
InChIKeyZTWBBZPWBXQKLH-HUVXFKINSA-N
MW755.01 g/mol
LogP16.03
Rot. Bonds7

About 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

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 (PubChem CID 177287422) has the molecular formula C56H37NO and a molecular weight of 755.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID177287422
Molecular FormulaC56H37NO
Molecular Weight755.01 g/mol
Exact Mass754.38
IUPAC Name6-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5c(-c7ccccc7)cccc56)c5ccc(-c6ccccc6)c6ccccc56)c([2H])c4[2H])c([2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-23-25-45-36-43(24-26-44(45)35-42)39-27-29-46(30-28-39)57(54-34-33-48(40-15-6-2-7-16-40)50-19-10-11-20-51(50)54)47-31-32-52-53-22-12-21-49(41-17-8-3-9-18-41)56(53)58-55(52)37-47/h1-37H/i1D,4D,5D,13D,14D,23D,24D,25D,26D,27D,28D,29D,30D,35D,36D
InChIKeyZTWBBZPWBXQKLH-HUVXFKINSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.01
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-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
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-3-amine
CID 168804855
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-[1,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287271
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738658
N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
CID 168772034
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738946
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
4-(4-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 176608970

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5c(-c7ccccc7)cccc56)c5ccc(-c6ccccc6)c6ccccc56)c([2H])c4[2H])c([2H])c([2H])c3c2[2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is ZTWBBZPWBXQKLH-HUVXFKINSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-13-38(14-5-1)42-23-25-45-36-43(24-26-44(45)35-42)39-27-29-46(30-28-39)57(54-34-33-48(40-15-6-2-7-16-40)50-19-10-11-20-51(50)54)47-31-32-52-53-22-12-21-49(41-17-8-3-9-18-41)56(53)58-55(52)37-47/h1-37H/i1D,4D,5D,13D,14D,23D,24D,25D,26D,27D,28D,29D,30D,35D,36D.
What are the key properties of 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?
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 has a molecular weight of 755.01 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177287422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).