N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine

C64H43NO — CID 170399133

IUPACN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-3-16-45(17-4-1)56-24-9-11-26-59(56)60-27-12-10-25-57(60)47-34-38-53(39-35-47)65(54-40-41-58-50(43-54)31-30-46-18-7-8-23-55(46)58)52-36-32-44(33-37-52)49-21-15-22-51(42-49)64-63(48-19-5-2-6-20-48)61-28-13-14-29-62(61)66-64/h1-43H
InChIKeyHIDISTKECBDJOG-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine

N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine (PubChem CID 170399133) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
PubChem CID170399133
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-3-16-45(17-4-1)56-24-9-11-26-59(56)60-27-12-10-25-57(60)47-34-38-53(39-35-47)65(54-40-41-58-50(43-54)31-30-46-18-7-8-23-55(46)58)52-36-32-44(33-37-52)49-21-15-22-51(42-49)64-63(48-19-5-2-6-20-48)61-28-13-14-29-62(61)66-64/h1-43H
InChIKeyHIDISTKECBDJOG-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-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399042
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
CID 170401768
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170400243
N-(4-phenanthren-9-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399040
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 170399211
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670
4-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402257
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine?
The IUPAC name of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine (CID 170399133) is N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine?
The canonical SMILES for N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5oc6ccccc6c5-c5ccccc5)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine?
The InChIKey is HIDISTKECBDJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-3-16-45(17-4-1)56-24-9-11-26-59(56)60-27-12-10-25-57(60)47-34-38-53(39-35-47)65(54-40-41-58-50(43-54)31-30-46-18-7-8-23-55(46)58)52-36-32-44(33-37-52)49-21-15-22-51(42-49)64-63(48-19-5-2-6-20-48)61-28-13-14-29-62(61)66-64/h1-43H.
What are the key properties of N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine?
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine 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 N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine is sourced from PubChem (CID 170399133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).