N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine

C45H28N2O — CID 168737831

IUPACN-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)c3cccc4c3oc3ccncc34)cc2)cc1
InChIInChI=1S/C45H28N2O/c1-2-7-29(8-3-1)30-15-20-34(21-16-30)47(42-14-6-13-39-41-28-46-26-25-43(41)48-45(39)42)35-22-17-31(18-23-35)33-19-24-36-37-11-4-9-32-10-5-12-38(44(32)37)40(36)27-33/h1-28H
InChIKeyBCHVFZNPPVCEQA-UHFFFAOYSA-N
MW612.73 g/mol
LogP12.59
Rot. Bonds5

About N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine

N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine (PubChem CID 168737831) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine
PubChem CID168737831
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC NameN-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)c3cccc4c3oc3ccncc34)cc2)cc1
InChIInChI=1S/C45H28N2O/c1-2-7-29(8-3-1)30-15-20-34(21-16-30)47(42-14-6-13-39-41-28-46-26-25-43(41)48-45(39)42)35-22-17-31(18-23-35)33-19-24-36-37-11-4-9-32-10-5-12-38(44(32)37)40(36)27-33/h1-28H
InChIKeyBCHVFZNPPVCEQA-UHFFFAOYSA-N
XLogP12.59
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(4-fluoranthen-8-ylphenyl)pyridin-3-amine
CID 118312464
N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 163421017
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 166861288
N-dibenzofuran-4-yl-6-fluoranthen-8-yl-N-pyridin-3-ylpyridin-3-amine
CID 118410664
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122493236
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine?
The IUPAC name of N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine (CID 168737831) is N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)c3cccc4c3oc3ccncc34)cc2)cc1.
What is the InChIKey of N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine?
The InChIKey is BCHVFZNPPVCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-7-29(8-3-1)30-15-20-34(21-16-30)47(42-14-6-13-39-41-28-46-26-25-43(41)48-45(39)42)35-22-17-31(18-23-35)33-19-24-36-37-11-4-9-32-10-5-12-38(44(32)37)40(36)27-33/h1-28H.
What are the key properties of N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine?
N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine has a molecular weight of 612.73 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoranthen-8-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-6-amine is sourced from PubChem (CID 168737831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).