4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline

C64H43NO — CID 155105429

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-6-16-44(17-7-1)47-26-34-54(35-27-47)65(55-36-28-48(29-37-55)45-18-8-2-9-19-45)56-38-30-49(31-39-56)53-33-41-58-57-40-32-52(46-20-10-3-11-21-46)42-59(57)62-61(50-22-12-4-13-23-50)63(51-24-14-5-15-25-51)66-64(62)60(58)43-53/h1-43H
InChIKeyRIVDECBFHDYNJL-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline (PubChem CID 155105429) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
PubChem CID155105429
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-6-16-44(17-7-1)47-26-34-54(35-27-47)65(55-36-28-48(29-37-55)45-18-8-2-9-19-45)56-38-30-49(31-39-56)53-33-41-58-57-40-32-52(46-20-10-3-11-21-46)42-59(57)62-61(50-22-12-4-13-23-50)63(51-24-14-5-15-25-51)66-64(62)60(58)43-53/h1-43H
InChIKeyRIVDECBFHDYNJL-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155105495
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
CID 155105615
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
CID 155105546
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
CID 170254540
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
3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 155105684
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline (CID 155105429) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline?
The InChIKey is RIVDECBFHDYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-6-16-44(17-7-1)47-26-34-54(35-27-47)65(55-36-28-48(29-37-55)45-18-8-2-9-19-45)56-38-30-49(31-39-56)53-33-41-58-57-40-32-52(46-20-10-3-11-21-46)42-59(57)62-61(50-22-12-4-13-23-50)63(51-24-14-5-15-25-51)66-64(62)60(58)43-53/h1-43H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline is sourced from PubChem (CID 155105429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).