8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

C64H40N2O4 — CID 89295907

IUPAC8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(-c7cc8ccccc8o7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(-c5cc6ccccc6o5)cc4c3c2)cc1
InChIInChI=1S/C64H40N2O4/c1-3-13-47(14-4-1)65(51-29-33-61-55(39-51)53-35-45(23-31-59(53)69-61)63-37-43-11-7-9-17-57(43)67-63)49-25-19-41(20-26-49)42-21-27-50(28-22-42)66(48-15-5-2-6-16-48)52-30-34-62-56(40-52)54-36-46(24-32-60(54)70-62)64-38-44-12-8-10-18-58(44)68-64/h1-40H
InChIKeyZAJNJIVJJQAEHL-UHFFFAOYSA-N
MW901.03 g/mol
LogP18.92
Rot. Bonds9

About 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 89295907) has the molecular formula C64H40N2O4 and a molecular weight of 901.03 g/mol. Its IUPAC name is 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID89295907
Molecular FormulaC64H40N2O4
Molecular Weight901.03 g/mol
Exact Mass900.30
IUPAC Name8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(-c7cc8ccccc8o7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(-c5cc6ccccc6o5)cc4c3c2)cc1
InChIInChI=1S/C64H40N2O4/c1-3-13-47(14-4-1)65(51-29-33-61-55(39-51)53-35-45(23-31-59(53)69-61)63-37-43-11-7-9-17-57(43)67-63)49-25-19-41(20-26-49)42-21-27-50(28-22-42)66(48-15-5-2-6-16-48)52-30-34-62-56(40-52)54-36-46(24-32-60(54)70-62)64-38-44-12-8-10-18-58(44)68-64/h1-40H
InChIKeyZAJNJIVJJQAEHL-UHFFFAOYSA-N
XLogP18.92
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.03
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
7-N,19-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 134560112

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (CID 89295907) is 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(-c7cc8ccccc8o7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(-c5cc6ccccc6o5)cc4c3c2)cc1.
What is the InChIKey of 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is ZAJNJIVJJQAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O4/c1-3-13-47(14-4-1)65(51-29-33-61-55(39-51)53-35-45(23-31-59(53)69-61)63-37-43-11-7-9-17-57(43)67-63)49-25-19-41(20-26-49)42-21-27-50(28-22-42)66(48-15-5-2-6-16-48)52-30-34-62-56(40-52)54-36-46(24-32-60(54)70-62)64-38-44-12-8-10-18-58(44)68-64/h1-40H.
What are the key properties of 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 901.03 g/mol, XLogP of 18.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-2-yl)-N-[4-[4-(N-[8-(1-benzofuran-2-yl)dibenzofuran-2-yl]anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 89295907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).