3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine

C56H38N2O — CID 177117023

IUPAC3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc34)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-3-11-39(12-4-1)43-19-25-47(26-20-43)57(49-29-23-41-15-7-9-17-45(41)35-49)51-31-33-53-54-34-32-52(38-56(54)59-55(53)37-51)58(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-2-6-14-40/h1-38H
InChIKeyBFROQJVZGAQPIR-UHFFFAOYSA-N
MW754.93 g/mol
LogP16.17
Rot. Bonds8

About 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine

3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine (PubChem CID 177117023) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
PubChem CID177117023
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC Name3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc34)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-3-11-39(12-4-1)43-19-25-47(26-20-43)57(49-29-23-41-15-7-9-17-45(41)35-49)51-31-33-53-54-34-32-52(38-56(54)59-55(53)37-51)58(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-2-6-14-40/h1-38H
InChIKeyBFROQJVZGAQPIR-UHFFFAOYSA-N
XLogP16.17
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine?
The IUPAC name of 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine (CID 177117023) is 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc34)cc2)cc1.
What is the InChIKey of 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine?
The InChIKey is BFROQJVZGAQPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-3-11-39(12-4-1)43-19-25-47(26-20-43)57(49-29-23-41-15-7-9-17-45(41)35-49)51-31-33-53-54-34-32-52(38-56(54)59-55(53)37-51)58(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-2-6-14-40/h1-38H.
What are the key properties of 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine?
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine has a molecular weight of 754.93 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 177117023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).