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

C45H28N2O — CID 163640714

IUPACN-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cn3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C45H28N2O/c1-2-12-29(13-3-1)31-24-25-42(38-19-9-8-14-32(31)38)47(45-27-41-39-20-10-11-21-43(39)48-44(41)28-46-45)30-22-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-30/h1-28H
InChIKeyIEADTMZRJPXEQI-UHFFFAOYSA-N
MW612.73 g/mol
LogP12.73
Rot. Bonds4

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

N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine (PubChem CID 163640714) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine
PubChem CID163640714
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC NameN-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cn3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C45H28N2O/c1-2-12-29(13-3-1)31-24-25-42(38-19-9-8-14-32(31)38)47(45-27-41-39-20-10-11-21-43(39)48-44(41)28-46-45)30-22-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-30/h1-28H
InChIKeyIEADTMZRJPXEQI-UHFFFAOYSA-N
XLogP12.73
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.73
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-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
CID 168738145
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
CID 170272646
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170032999
N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
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-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine (CID 163640714) is N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cn3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine?
The InChIKey is IEADTMZRJPXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-12-29(13-3-1)31-24-25-42(38-19-9-8-14-32(31)38)47(45-27-41-39-20-10-11-21-43(39)48-44(41)28-46-45)30-22-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-30/h1-28H.
What are the key properties of N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine?
N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine has a molecular weight of 612.73 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylnaphthalen-1-yl)-N-triphenylen-2-yl-[1]benzofuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 163640714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).