N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline

C64H41NO — CID 176810675

IUPACN-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C64H41NO/c1-3-13-52-46(12-1)35-40-57-55(52)18-9-19-56(57)58-15-5-7-20-61(58)65(51-38-33-47(34-39-51)54-17-10-22-63-64(54)59-16-6-8-21-62(59)66-63)50-36-31-43(32-37-50)42-23-25-44(26-24-42)49-30-29-48-28-27-45-11-2-4-14-53(45)60(48)41-49/h1-41H
InChIKeyCNYFHAUXXLHSPX-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline

N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline (PubChem CID 176810675) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
PubChem CID176810675
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C64H41NO/c1-3-13-52-46(12-1)35-40-57-55(52)18-9-19-56(57)58-15-5-7-20-61(58)65(51-38-33-47(34-39-51)54-17-10-22-63-64(54)59-16-6-8-21-62(59)66-63)50-36-31-43(32-37-50)42-23-25-44(26-24-42)49-30-29-48-28-27-45-11-2-4-14-53(45)60(48)41-49/h1-41H
InChIKeyCNYFHAUXXLHSPX-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
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-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-3-ylphenyl)aniline
CID 176810652
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810230
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline (CID 176810675) is N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)c(-c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline?
The InChIKey is CNYFHAUXXLHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-13-52-46(12-1)35-40-57-55(52)18-9-19-56(57)58-15-5-7-20-61(58)65(51-38-33-47(34-39-51)54-17-10-22-63-64(54)59-16-6-8-21-62(59)66-63)50-36-31-43(32-37-50)42-23-25-44(26-24-42)49-30-29-48-28-27-45-11-2-4-14-53(45)60(48)41-49/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline?
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline is sourced from PubChem (CID 176810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).