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

C41H28N2O — CID 166860859

IUPACN-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccnc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-11-29(12-4-1)31-19-21-33(22-20-31)35-15-7-9-17-37(35)43(34-25-23-32(24-26-34)30-13-5-2-6-14-30)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H
InChIKeyNAMOAKURIHKTEA-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

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

N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine (PubChem CID 166860859) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
PubChem CID166860859
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC NameN-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccnc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C41H28N2O/c1-3-11-29(12-4-1)31-19-21-33(22-20-31)35-15-7-9-17-37(35)43(34-25-23-32(24-26-34)30-13-5-2-6-14-30)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H
InChIKeyNAMOAKURIHKTEA-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

N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
N,N-bis(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861071
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-4-amine
CID 163825151
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
4-([1]benzofuro[3,2-b]pyridin-4-yl)-N,N-bis(4-triphenylen-1-ylphenyl)aniline
CID 168765389
N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168738270
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
CID 166861417
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine (CID 166860859) is N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccnc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine?
The InChIKey is NAMOAKURIHKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-11-29(12-4-1)31-19-21-33(22-20-31)35-15-7-9-17-37(35)43(34-25-23-32(24-26-34)30-13-5-2-6-14-30)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H.
What are the key properties of N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine?
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-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-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine is sourced from PubChem (CID 166860859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).