1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H29NOS — CID 171739209

IUPAC1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(sc5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C46H29NOS/c1-2-9-30(10-3-1)31-17-23-35(24-18-31)47(41-14-8-15-42-45(41)40-28-21-33-11-4-5-12-37(33)46(40)48-42)36-25-19-32(20-26-36)34-22-27-39-38-13-6-7-16-43(38)49-44(39)29-34/h1-29H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D
InChIKeyUGYKITWMVHQUSH-XXIKWABCSA-N
MW667.96 g/mol
LogP13.91
Rot. Bonds5

About 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739209) has the molecular formula C46H29NOS and a molecular weight of 667.96 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739209
Molecular FormulaC46H29NOS
Molecular Weight667.96 g/mol
Exact Mass667.35
IUPAC Name1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(sc5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C46H29NOS/c1-2-9-30(10-3-1)31-17-23-35(24-18-31)47(41-14-8-15-42-45(41)40-28-21-33-11-4-5-12-37(33)46(40)48-42)36-25-19-32(20-26-36)34-22-27-39-38-13-6-7-16-43(38)49-44(39)29-34/h1-29H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D
InChIKeyUGYKITWMVHQUSH-XXIKWABCSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.96
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738619
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737602
N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737358
N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739030
1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738042
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739234
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739140
N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737370
1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738501
N-(3-carbazol-9-yl-2,4,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737444
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739503
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737646

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739209) is 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3c([2H])c([2H])c4c(sc5c([2H])c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is UGYKITWMVHQUSH-XXIKWABCSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-9-30(10-3-1)31-17-23-35(24-18-31)47(41-14-8-15-42-45(41)40-28-21-33-11-4-5-12-37(33)46(40)48-42)36-25-19-32(20-26-36)34-22-27-39-38-13-6-7-16-43(38)49-44(39)29-34/h1-29H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D.
What are the key properties of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 667.96 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).