N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine

C43H30N2O — CID 166861053

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine
SMILESC1=C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2c(oc3ccccc23)CN1
InChIInChI=1S/C43H30N2O/c1-3-9-33-25-35(15-13-29(33)7-1)31-17-21-37(22-18-31)45(40-27-44-28-42-43(40)39-11-5-6-12-41(39)46-42)38-23-19-32(20-24-38)36-16-14-30-8-2-4-10-34(30)26-36/h1-27,44H,28H2
InChIKeyCVAFIBHTLFECCG-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.31
Rot. Bonds5

About N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine

N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine (PubChem CID 166861053) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine
PubChem CID166861053
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine
SMILESC1=C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2c(oc3ccccc23)CN1
InChIInChI=1S/C43H30N2O/c1-3-9-33-25-35(15-13-29(33)7-1)31-17-21-37(22-18-31)45(40-27-44-28-42-43(40)39-11-5-6-12-41(39)46-42)38-23-19-32(20-24-38)36-16-14-30-8-2-4-10-34(30)26-36/h1-27,44H,28H2
InChIKeyCVAFIBHTLFECCG-UHFFFAOYSA-N
XLogP11.31
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166861977
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401801
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860602
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine (CID 166861053) is N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine is C1=C(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c2c(oc3ccccc23)CN1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine?
The InChIKey is CVAFIBHTLFECCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-3-9-33-25-35(15-13-29(33)7-1)31-17-21-37(22-18-31)45(40-27-44-28-42-43(40)39-11-5-6-12-41(39)46-42)38-23-19-32(20-24-38)36-16-14-30-8-2-4-10-34(30)26-36/h1-27,44H,28H2.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine?
N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine has a molecular weight of 590.73 g/mol, XLogP of 11.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-2-ylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-4-amine is sourced from PubChem (CID 166861053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).