N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline

C64H41NO — CID 176810259

IUPACN-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6ccc6ccccc67)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc12
InChIInChI=1S/C64H41NO/c1-3-11-54-45(9-1)23-24-50-41-49(32-39-57(50)54)44-27-35-52(36-28-44)65(53-37-29-48(30-38-53)58-15-8-18-63-64(58)61-13-5-6-17-62(61)66-63)51-33-25-43(26-34-51)42-19-21-47(22-20-42)56-14-7-16-59-55-12-4-2-10-46(55)31-40-60(56)59/h1-41H
InChIKeyZGGXSRQXNQAFIE-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 176810259) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
PubChem CID176810259
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6ccc6ccccc67)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc12
InChIInChI=1S/C64H41NO/c1-3-11-54-45(9-1)23-24-50-41-49(32-39-57(50)54)44-27-35-52(36-28-44)65(53-37-29-48(30-38-53)58-15-8-18-63-64(58)61-13-5-6-17-62(61)66-63)51-33-25-43(26-34-51)42-19-21-47(22-20-42)56-14-7-16-59-55-12-4-2-10-46(55)31-40-60(56)59/h1-41H
InChIKeyZGGXSRQXNQAFIE-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-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-3-ylphenyl)aniline
CID 176810722
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline (CID 176810259) is N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline is c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6ccc6ccccc67)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc12.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline?
The InChIKey is ZGGXSRQXNQAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-11-54-45(9-1)23-24-50-41-49(32-39-57(50)54)44-27-35-52(36-28-44)65(53-37-29-48(30-38-53)58-15-8-18-63-64(58)61-13-5-6-17-62(61)66-63)51-33-25-43(26-34-51)42-19-21-47(22-20-42)56-14-7-16-59-55-12-4-2-10-46(55)31-40-60(56)59/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)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)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 176810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).