N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline

C60H39NO — CID 174275343

IUPACN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-40(16-4-1)50-36-34-47(39-56(50)41-17-5-2-6-18-41)61(46-32-29-43(30-33-46)49-24-13-25-51-48-22-10-9-19-42(48)31-35-52(49)51)58-28-12-11-23-53(58)54-26-14-27-55-57-37-44-20-7-8-21-45(44)38-59(57)62-60(54)55/h1-39H
InChIKeyCPNKJXCTGUMFDS-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline (PubChem CID 174275343) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
PubChem CID174275343
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-40(16-4-1)50-36-34-47(39-56(50)41-17-5-2-6-18-41)61(46-32-29-43(30-33-46)49-24-13-25-51-48-22-10-9-19-42(48)31-35-52(49)51)58-28-12-11-23-53(58)54-26-14-27-55-57-37-44-20-7-8-21-45(44)38-59(57)62-60(54)55/h1-39H
InChIKeyCPNKJXCTGUMFDS-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
CID 174275128
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
CID 174274328
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-9-ylphenanthren-2-amine
CID 174275538
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 174275030
N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-naphthalen-2-yldibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 158603795
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303613
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline (CID 174275343) is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline?
The InChIKey is CPNKJXCTGUMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-40(16-4-1)50-36-34-47(39-56(50)41-17-5-2-6-18-41)61(46-32-29-43(30-33-46)49-24-13-25-51-48-22-10-9-19-42(48)31-35-52(49)51)58-28-12-11-23-53(58)54-26-14-27-55-57-37-44-20-7-8-21-45(44)38-59(57)62-60(54)55/h1-39H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline?
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline is sourced from PubChem (CID 174275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).