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

C47H30N2O — CID 166861605

IUPACN-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(47-46-42-16-8-9-17-44(42)50-45(46)28-29-48-47)36-25-20-33(21-26-36)34-22-27-41-39-14-5-4-12-37(39)38-13-6-7-15-40(38)43(41)30-34/h1-30H
InChIKeyGMQIRBZPMSCJLJ-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.24
Rot. Bonds5

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

N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (PubChem CID 166861605) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
PubChem CID166861605
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC NameN-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(47-46-42-16-8-9-17-44(42)50-45(46)28-29-48-47)36-25-20-33(21-26-36)34-22-27-41-39-14-5-4-12-37(39)38-13-6-7-15-40(38)43(41)30-34/h1-30H
InChIKeyGMQIRBZPMSCJLJ-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-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861443
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 163540753
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
CID 168737787
4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)-N,N-diphenylaniline
CID 167121476
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167121502
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (CID 166861605) is N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3nccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The InChIKey is GMQIRBZPMSCJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-2-10-31(11-3-1)32-18-23-35(24-19-32)49(47-46-42-16-8-9-17-44(42)50-45(46)28-29-48-47)36-25-20-33(21-26-36)34-22-27-41-39-14-5-4-12-37(39)38-13-6-7-15-40(38)43(41)30-34/h1-30H.
What are the key properties of N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-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-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is sourced from PubChem (CID 166861605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).