N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine

C47H30N2O — CID 163416185

IUPACN-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4cnccc45)c3)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-35(28-34)49(45-19-9-18-43-42-26-27-48-30-46(42)50-47(43)45)36-24-25-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)44(41)29-36/h1-30H
InChIKeyAEPPALIIIAWFNP-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.24
Rot. Bonds5

About N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine

N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine (PubChem CID 163416185) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine
PubChem CID163416185
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC NameN-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4cnccc45)c3)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-35(28-34)49(45-19-9-18-43-42-26-27-48-30-46(42)50-47(43)45)36-24-25-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)44(41)29-36/h1-30H
InChIKeyAEPPALIIIAWFNP-UHFFFAOYSA-N
XLogP13.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861010
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166861741
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine?
The IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine (CID 163416185) is N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine.
What is the SMILES notation for N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine?
The canonical SMILES for N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4oc4cnccc45)c3)cc2)cc1.
What is the InChIKey of N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine?
The InChIKey is AEPPALIIIAWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-35(28-34)49(45-19-9-18-43-42-26-27-48-30-46(42)50-47(43)45)36-24-25-41-39-16-5-4-14-37(39)38-15-6-7-17-40(38)44(41)29-36/h1-30H.
What are the key properties of N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine?
N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine has a molecular weight of 638.77 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-8-amine is sourced from PubChem (CID 163416185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).