N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine

C43H26N2O — CID 166860611

IUPACN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESc1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ncccc45)cc-2c13
InChIInChI=1S/C43H26N2O/c1-2-9-29-24-30(18-17-27(29)8-1)28-19-21-32(22-20-28)45(40-16-6-14-37-38-15-7-23-44-43(38)46-42(37)40)33-25-31-10-5-13-36-34-11-3-4-12-35(34)39(26-33)41(31)36/h1-26H
InChIKeyUHJSMUQDEWLQQU-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.07
Rot. Bonds4

About N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine

N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine (PubChem CID 166860611) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine.

Molecular Properties

Compound NameN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
PubChem CID166860611
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC NameN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESc1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ncccc45)cc-2c13
InChIInChI=1S/C43H26N2O/c1-2-9-29-24-30(18-17-27(29)8-1)28-19-21-32(22-20-28)45(40-16-6-14-37-38-15-7-23-44-43(38)46-42(37)40)33-25-31-10-5-13-36-34-11-3-4-12-35(34)39(26-33)41(31)36/h1-26H
InChIKeyUHJSMUQDEWLQQU-UHFFFAOYSA-N
XLogP12.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
CID 118312464
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine
CID 166862094
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The IUPAC name of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine (CID 166860611) is N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine.
What is the SMILES notation for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The canonical SMILES for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine is c1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4ncccc45)cc-2c13.
What is the InChIKey of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The InChIKey is UHJSMUQDEWLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c1-2-9-29-24-30(18-17-27(29)8-1)28-19-21-32(22-20-28)45(40-16-6-14-37-38-15-7-23-44-43(38)46-42(37)40)33-25-31-10-5-13-36-34-11-3-4-12-35(34)39(26-33)41(31)36/h1-26H.
What are the key properties of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine?
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine has a molecular weight of 586.69 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine is sourced from PubChem (CID 166860611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).