N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C64H41NOS — CID 170243061

IUPACN-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4oc5c6ccccc6ccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C64H41NOS/c1-4-15-42(16-5-1)45-31-34-52(35-32-45)65(60-25-14-24-57-55-23-12-13-26-61(55)67-64(57)60)53-40-58(63-59(41-53)56-36-33-47-21-10-11-22-54(47)62(56)66-63)48-29-27-46(28-30-48)51-38-49(43-17-6-2-7-18-43)37-50(39-51)44-19-8-3-9-20-44/h1-41H
InChIKeyDFDYFLXRCNIRQD-UHFFFAOYSA-N
MW872.11 g/mol
LogP18.91
Rot. Bonds8

About N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170243061) has the molecular formula C64H41NOS and a molecular weight of 872.11 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170243061
Molecular FormulaC64H41NOS
Molecular Weight872.11 g/mol
Exact Mass871.29
IUPAC NameN-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4oc5c6ccccc6ccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C64H41NOS/c1-4-15-42(16-5-1)45-31-34-52(35-32-45)65(60-25-14-24-57-55-23-12-13-26-61(55)67-64(57)60)53-40-58(63-59(41-53)56-36-33-47-21-10-11-22-54(47)62(56)66-63)48-29-27-46(28-30-48)51-38-49(43-17-6-2-7-18-43)37-50(39-51)44-19-8-3-9-20-44/h1-41H
InChIKeyDFDYFLXRCNIRQD-UHFFFAOYSA-N
XLogP18.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.11
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-dibenzothiophen-4-yl-4-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170240129
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167252451
N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-4-amine
CID 174282856
N-(6,7-dihydrodibenzothiophen-4-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 174180887
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
2-(N-[8-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-4-phenylanilino)-6-phenylbenzenethiol
CID 170675417

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 170243061) is N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4oc5c6ccccc6ccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is DFDYFLXRCNIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NOS/c1-4-15-42(16-5-1)45-31-34-52(35-32-45)65(60-25-14-24-57-55-23-12-13-26-61(55)67-64(57)60)53-40-58(63-59(41-53)56-36-33-47-21-10-11-22-54(47)62(56)66-63)48-29-27-46(28-30-48)51-38-49(43-17-6-2-7-18-43)37-50(39-51)44-19-8-3-9-20-44/h1-41H.
What are the key properties of N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 872.11 g/mol, XLogP of 18.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170243061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).