N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C54H35NO — CID 177274624

IUPACN-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cccc5ccccc45)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-30-40(31-29-37)55(41-32-33-48-47-23-10-11-27-52(47)56-53(48)35-41)51-26-13-25-49(45-24-12-18-38-16-4-6-19-42(38)45)54(51)50-34-39-17-5-7-20-43(39)44-21-8-9-22-46(44)50/h1-35H
InChIKeyWATAFHFAQJGJCZ-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177274624) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID177274624
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cccc5ccccc45)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-30-40(31-29-37)55(41-32-33-48-47-23-10-11-27-52(47)56-53(48)35-41)51-26-13-25-49(45-24-12-18-38-16-4-6-19-42(38)45)54(51)50-34-39-17-5-7-20-43(39)44-21-8-9-22-46(44)50/h1-35H
InChIKeyWATAFHFAQJGJCZ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
CID 170675888
N-[2,3-bis(4-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-3-amine
CID 177097066
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 177274624) is N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4cccc5ccccc45)c3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is WATAFHFAQJGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-30-40(31-29-37)55(41-32-33-48-47-23-10-11-27-52(47)56-53(48)35-41)51-26-13-25-49(45-24-12-18-38-16-4-6-19-42(38)45)54(51)50-34-39-17-5-7-20-43(39)44-21-8-9-22-46(44)50/h1-35H.
What are the key properties of N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).