N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

C52H33NOS — CID 170126820

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-24-28-40(29-25-35)53(46-18-11-21-50-52(46)42-17-8-10-20-49(42)55-50)45-30-26-39(32-43(45)36-14-5-2-6-15-36)38-23-22-37-27-31-48-51(44(37)33-38)41-16-7-9-19-47(41)54-48/h1-33H
InChIKeyXTWKHRLKKDOYFM-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 170126820) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID170126820
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-24-28-40(29-25-35)53(46-18-11-21-50-52(46)42-17-8-10-20-49(42)55-50)45-30-26-39(32-43(45)36-14-5-2-6-15-36)38-23-22-37-27-31-48-51(44(37)33-38)41-16-7-9-19-47(41)54-48/h1-33H
InChIKeyXTWKHRLKKDOYFM-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738264
N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 163628831
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 159106668
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502200
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-1-amine
CID 164955040
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 170126820) is N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is XTWKHRLKKDOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-24-28-40(29-25-35)53(46-18-11-21-50-52(46)42-17-8-10-20-49(42)55-50)45-30-26-39(32-43(45)36-14-5-2-6-15-36)38-23-22-37-27-31-48-51(44(37)33-38)41-16-7-9-19-47(41)54-48/h1-33H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 170126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).