1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine

C46H32N2O — CID 166917710

IUPAC1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C46H32N2O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)47(35-16-6-2-7-17-35)43-23-12-22-40-39(43)21-13-24-44(40)48(36-18-8-3-9-19-36)38-30-31-46-42(32-38)41-20-10-11-25-45(41)49-46/h1-32H
InChIKeyRFWBWCIAGRORLJ-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.35
Rot. Bonds7

About 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine

1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine (PubChem CID 166917710) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
PubChem CID166917710
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C46H32N2O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)47(35-16-6-2-7-17-35)43-23-12-22-40-39(43)21-13-24-44(40)48(36-18-8-3-9-19-36)38-30-31-46-42(32-38)41-20-10-11-25-45(41)49-46/h1-32H
InChIKeyRFWBWCIAGRORLJ-UHFFFAOYSA-N
XLogP13.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine (CID 166917710) is 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cccc34)cc2)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine?
The InChIKey is RFWBWCIAGRORLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)47(35-16-6-2-7-17-35)43-23-12-22-40-39(43)21-13-24-44(40)48(36-18-8-3-9-19-36)38-30-31-46-42(32-38)41-20-10-11-25-45(41)49-46/h1-32H.
What are the key properties of 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine?
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine has a molecular weight of 628.78 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine is sourced from PubChem (CID 166917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).