N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline

C57H38N2O2 — CID 155105615

IUPACN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
SMILESc1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C57H38N2O2/c1-4-12-42(13-5-1)54-55-52-19-11-10-18-50(52)51-33-24-44(38-53(51)57(55)61-56(54)43-14-6-2-7-15-43)40-22-27-46(28-23-40)59(45-25-20-39(21-26-45)41-34-36-58-37-35-41)47-29-31-49(32-30-47)60-48-16-8-3-9-17-48/h1-38H
InChIKeyQDVOCLCJBDZCHS-UHFFFAOYSA-N
MW782.94 g/mol
LogP16.06
Rot. Bonds9

About N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline (PubChem CID 155105615) has the molecular formula C57H38N2O2 and a molecular weight of 782.94 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
PubChem CID155105615
Molecular FormulaC57H38N2O2
Molecular Weight782.94 g/mol
Exact Mass782.29
IUPAC NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
SMILESc1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C57H38N2O2/c1-4-12-42(13-5-1)54-55-52-19-11-10-18-50(52)51-33-24-44(38-53(51)57(55)61-56(54)43-14-6-2-7-15-43)40-22-27-46(28-23-40)59(45-25-20-39(21-26-45)41-34-36-58-37-35-41)47-29-31-49(32-30-47)60-48-16-8-3-9-17-48/h1-38H
InChIKeyQDVOCLCJBDZCHS-UHFFFAOYSA-N
XLogP16.06
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.94
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
CID 155105546
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
CID 170254540
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 155105614
N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155105495
2,3,4,5,6-pentadeuterio-N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline
CID 155609727

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?
The IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline (CID 155105615) is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline.
What is the SMILES notation for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?
The canonical SMILES for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline is c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?
The InChIKey is QDVOCLCJBDZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O2/c1-4-12-42(13-5-1)54-55-52-19-11-10-18-50(52)51-33-24-44(38-53(51)57(55)61-56(54)43-14-6-2-7-15-43)40-22-27-46(28-23-40)59(45-25-20-39(21-26-45)41-34-36-58-37-35-41)47-29-31-49(32-30-47)60-48-16-8-3-9-17-48/h1-38H.
What are the key properties of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline has a molecular weight of 782.94 g/mol, XLogP of 16.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline is sourced from PubChem (CID 155105615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).