N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine

C51H32N2OS — CID 90076346

IUPACN-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H32N2OS/c1-2-10-37(11-3-1)53(51-16-8-9-29-52-51)38-22-17-33(18-23-38)34-21-28-49-46(30-34)45-25-20-36(32-50(45)55-49)40-27-26-39(41-12-4-5-13-42(40)41)35-19-24-44-43-14-6-7-15-47(43)54-48(44)31-35/h1-32H
InChIKeyGTHLPHASCGZPGZ-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine

N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine (PubChem CID 90076346) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine
PubChem CID90076346
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC NameN-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H32N2OS/c1-2-10-37(11-3-1)53(51-16-8-9-29-52-51)38-22-17-33(18-23-38)34-21-28-49-46(30-34)45-25-20-36(32-50(45)55-49)40-27-26-39(41-12-4-5-13-42(40)41)35-19-24-44-43-14-6-7-15-47(43)54-48(44)31-35/h1-32H
InChIKeyGTHLPHASCGZPGZ-UHFFFAOYSA-N
XLogP14.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine (CID 90076346) is N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4sc5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)ccc5c4c3)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The InChIKey is GTHLPHASCGZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-2-10-37(11-3-1)53(51-16-8-9-29-52-51)38-22-17-33(18-23-38)34-21-28-49-46(30-34)45-25-20-36(32-50(45)55-49)40-27-26-39(41-12-4-5-13-42(40)41)35-19-24-44-43-14-6-7-15-47(43)54-48(44)31-35/h1-32H.
What are the key properties of N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine?
N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine has a molecular weight of 720.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4-dibenzofuran-3-ylnaphthalen-1-yl)dibenzothiophen-2-yl]phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 90076346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).