N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine

C29H20N2O — CID 168737884

IUPACN-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cccnc5c34)cc2)cc1
InChIInChI=1S/C29H20N2O/c1-3-9-21(10-4-1)22-16-18-24(19-17-22)31(23-11-5-2-6-12-23)25-13-7-14-26-28(25)29-27(32-26)15-8-20-30-29/h1-20H
InChIKeyDGOXNWKILXUXEZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP8.12
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine

N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine (PubChem CID 168737884) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
PubChem CID168737884
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC NameN-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cccnc5c34)cc2)cc1
InChIInChI=1S/C29H20N2O/c1-3-9-21(10-4-1)22-16-18-24(19-17-22)31(23-11-5-2-6-12-23)25-13-7-14-26-28(25)29-27(32-26)15-8-20-30-29/h1-20H
InChIKeyDGOXNWKILXUXEZ-UHFFFAOYSA-N
XLogP8.12
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 58.12
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-6-amine
CID 166861996
N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168738101
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271
N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[h]quinolin-10-amine
CID 118003349
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
N-(3-phenylphenyl)-N-(4-phenylphenyl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171774
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 167171709
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
CID 171050359

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine (CID 168737884) is N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cccnc5c34)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
The InChIKey is DGOXNWKILXUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-3-9-21(10-4-1)22-16-18-24(19-17-22)31(23-11-5-2-6-12-23)25-13-7-14-26-28(25)29-27(32-26)15-8-20-30-29/h1-20H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine?
N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine has a molecular weight of 412.49 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine is sourced from PubChem (CID 168737884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).