N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C46H31NOS — CID 174180887

IUPACN-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESC1=Cc2c(sc3c(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5oc6c7ccccc7ccc6c5c4)cccc23)CC1
InChIInChI=1S/C46H31NOS/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)47(42-20-11-19-39-37-18-9-10-21-43(37)49-46(39)42)35-28-40(32-14-5-2-6-15-32)45-41(29-35)38-27-24-33-16-7-8-17-36(33)44(38)48-45/h1-9,11-20,22-29H,10,21H2
InChIKeyGALACSNVXRYHSS-UHFFFAOYSA-N
MW645.83 g/mol
LogP13.72
Rot. Bonds5

About N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 174180887) has the molecular formula C46H31NOS and a molecular weight of 645.83 g/mol. Its IUPAC name is N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID174180887
Molecular FormulaC46H31NOS
Molecular Weight645.83 g/mol
Exact Mass645.21
IUPAC NameN-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESC1=Cc2c(sc3c(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5oc6c7ccccc7ccc6c5c4)cccc23)CC1
InChIInChI=1S/C46H31NOS/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)47(42-20-11-19-39-37-18-9-10-21-43(37)49-46(39)42)35-28-40(32-14-5-2-6-15-32)45-41(29-35)38-27-24-33-16-7-8-17-36(33)44(38)48-45/h1-9,11-20,22-29H,10,21H2
InChIKeyGALACSNVXRYHSS-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.83
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239541
N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243061
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzothiophen-4-amine
CID 167007574
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399
N-dibenzothiophen-4-yl-4-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170240129
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162
N-(4-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 118616293
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 174180887) is N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is C1=Cc2c(sc3c(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5oc6c7ccccc7ccc6c5c4)cccc23)CC1.
What is the InChIKey of N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is GALACSNVXRYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NOS/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)47(42-20-11-19-39-37-18-9-10-21-43(37)49-46(39)42)35-28-40(32-14-5-2-6-15-32)45-41(29-35)38-27-24-33-16-7-8-17-36(33)44(38)48-45/h1-9,11-20,22-29H,10,21H2.
What are the key properties of N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 645.83 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 174180887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).