N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine

C51H32N2O — CID 166860628

IUPACN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3nccc4c3oc3ccccc34)cc1)c1ccccc12
InChIInChI=1S/C51H32N2O/c1-3-13-39-35(11-1)31-47(43-17-7-5-15-41(39)43)33-21-25-37(26-22-33)53(51-50-46(29-30-52-51)45-19-9-10-20-49(45)54-50)38-27-23-34(24-28-38)48-32-36-12-2-4-14-40(36)42-16-6-8-18-44(42)48/h1-32H
InChIKeyVJROVRZIKBYZTG-UHFFFAOYSA-N
MW688.83 g/mol
LogP14.40
Rot. Bonds5

About N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine

N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine (PubChem CID 166860628) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
PubChem CID166860628
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3nccc4c3oc3ccccc34)cc1)c1ccccc12
InChIInChI=1S/C51H32N2O/c1-3-13-39-35(11-1)31-47(43-17-7-5-15-41(39)43)33-21-25-37(26-22-33)53(51-50-46(29-30-52-51)45-19-9-10-20-49(45)54-50)38-27-23-34(24-28-38)48-32-36-12-2-4-14-40(36)42-16-6-8-18-44(42)48/h1-32H
InChIKeyVJROVRZIKBYZTG-UHFFFAOYSA-N
XLogP14.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 514.40
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[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 163942199
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166861629
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167277976
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
CID 163626318
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 168738244
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166862183
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277908
N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177421
N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 162481227
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine (CID 166860628) is N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine is c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3nccc4c3oc3ccccc34)cc1)c1ccccc12.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?
The InChIKey is VJROVRZIKBYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-13-39-35(11-1)31-47(43-17-7-5-15-41(39)43)33-21-25-37(26-22-33)53(51-50-46(29-30-52-51)45-19-9-10-20-49(45)54-50)38-27-23-34(24-28-38)48-32-36-12-2-4-14-40(36)42-16-6-8-18-44(42)48/h1-32H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine?
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine has a molecular weight of 688.83 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine is sourced from PubChem (CID 166860628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).