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

C40H27NO — CID 177287427

IUPAC7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4ccc5c(c4)oc4cc(N(c6ccccc6)c6ccccc6)ccc45)c([2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C40H27NO/c1-4-10-28(11-5-1)29-16-17-31-25-32(19-18-30(31)24-29)33-20-22-37-38-23-21-36(27-40(38)42-39(37)26-33)41(34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-27H/i1D,4D,5D,10D,11D,16D,17D,18D,19D,24D,25D
InChIKeyLDOOMLRJSJVPOL-FNRAGLAKSA-N
MW548.73 g/mol
LogP11.54
Rot. Bonds5

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

7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine (PubChem CID 177287427) has the molecular formula C40H27NO and a molecular weight of 548.73 g/mol. Its IUPAC name is 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound Name7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine
PubChem CID177287427
Molecular FormulaC40H27NO
Molecular Weight548.73 g/mol
Exact Mass548.28
IUPAC Name7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4ccc5c(c4)oc4cc(N(c6ccccc6)c6ccccc6)ccc45)c([2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C40H27NO/c1-4-10-28(11-5-1)29-16-17-31-25-32(19-18-30(31)24-29)33-20-22-37-38-23-21-36(27-40(38)42-39(37)26-33)41(34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-27H/i1D,4D,5D,10D,11D,16D,17D,18D,19D,24D,25D
InChIKeyLDOOMLRJSJVPOL-FNRAGLAKSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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
7-(4,6,7,8,9,10,11-heptadeuterio-2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N,N-diphenyldibenzofuran-3-amine
CID 155609733
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-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
CID 171452943
2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
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
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
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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339270
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-3-amine
CID 168804855

Frequently Asked Questions

What is the IUPAC name of 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The IUPAC name of 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) is 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine.
What is the SMILES notation for 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The canonical SMILES for 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4ccc5c(c4)oc4cc(N(c6ccccc6)c6ccccc6)ccc45)c([2H])c([2H])c3c2[2H])c([2H])c1[2H].
What is the InChIKey of 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine?
The InChIKey is LDOOMLRJSJVPOL-FNRAGLAKSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-10-28(11-5-1)29-16-17-31-25-32(19-18-30(31)24-29)33-20-22-37-38-23-21-36(27-40(38)42-39(37)26-33)41(34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-27H/i1D,4D,5D,10D,11D,16D,17D,18D,19D,24D,25D.
What are the key properties of 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine?
7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine has a molecular weight of 548.73 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 177287427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).