N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine

C41H28N2O — CID 168738145

IUPACN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H
InChIKeyCKKZJOJQEXCFJK-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine (PubChem CID 168738145) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
PubChem CID168738145
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H
InChIKeyCKKZJOJQEXCFJK-UHFFFAOYSA-N
XLogP11.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813341
N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine
CID 163640714
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 163828900
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine (CID 168738145) is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine?
The InChIKey is CKKZJOJQEXCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine?
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine has a molecular weight of 564.69 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 168738145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).