N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine

C51H32N2O — CID 168738244

IUPACN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3cccnc34)cc1)c1ccccc12
InChIInChI=1S/C51H32N2O/c1-3-12-40-35(10-1)30-47(44-16-7-5-14-42(40)44)33-19-23-37(24-20-33)53(39-27-28-46-50(32-39)54-49-18-9-29-52-51(46)49)38-25-21-34(22-26-38)48-31-36-11-2-4-13-41(36)43-15-6-8-17-45(43)48/h1-32H
InChIKeyXBLWULVQYLWRHY-UHFFFAOYSA-N
MW688.83 g/mol
LogP14.40
Rot. Bonds5

About N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine

N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine (PubChem CID 168738244) 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[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
PubChem CID168738244
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3cccnc34)cc1)c1ccccc12
InChIInChI=1S/C51H32N2O/c1-3-12-40-35(10-1)30-47(44-16-7-5-14-42(40)44)33-19-23-37(24-20-33)53(39-27-28-46-50(32-39)54-49-18-9-29-52-51(46)49)38-25-21-34(22-26-38)48-31-36-11-2-4-13-41(36)43-15-6-8-17-45(43)48/h1-32H
InChIKeyXBLWULVQYLWRHY-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'}

Analyze N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166862183
N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 166861055
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167181679
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-dibenzofuran-3-yl-N-[4-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)phenyl]dibenzofuran-3-amine
CID 177100430
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166860628
N-phenanthren-9-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168738101
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N-(4-phenanthren-9-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776770

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine (CID 168738244) is N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine is c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)oc3cccnc34)cc1)c1ccccc12.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine?
The InChIKey is XBLWULVQYLWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-12-40-35(10-1)30-47(44-16-7-5-14-42(40)44)33-19-23-37(24-20-33)53(39-27-28-46-50(32-39)54-49-18-9-29-52-51(46)49)38-25-21-34(22-26-38)48-31-36-11-2-4-13-41(36)43-15-6-8-17-45(43)48/h1-32H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine?
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-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[3,2-b]pyridin-7-amine is sourced from PubChem (CID 168738244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).