N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline

C46H29N5O — CID 168765724

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline
SMILESc1cnc2ccc(-c3ccc(N(c4ccc(-c5ccc6ncccc6n5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc2c1
InChIInChI=1S/C46H29N5O/c1-2-11-45-37(6-1)38-8-3-7-36(46(38)52-45)30-12-18-33(19-13-30)51(34-20-14-31(15-21-34)39-24-26-41-43(49-39)9-4-28-47-41)35-22-16-32(17-23-35)40-25-27-42-44(50-40)10-5-29-48-42/h1-29H
InChIKeyVKAFSRYNTVZQCE-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.94
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline (PubChem CID 168765724) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline
PubChem CID168765724
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline
SMILESc1cnc2ccc(-c3ccc(N(c4ccc(-c5ccc6ncccc6n5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc2c1
InChIInChI=1S/C46H29N5O/c1-2-11-45-37(6-1)38-8-3-7-36(46(38)52-45)30-12-18-33(19-13-30)51(34-20-14-31(15-21-34)39-24-26-41-43(49-39)9-4-28-47-41)35-22-16-32(17-23-35)40-25-27-42-44(50-40)10-5-29-48-42/h1-29H
InChIKeyVKAFSRYNTVZQCE-UHFFFAOYSA-N
XLogP11.94
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-pyridin-4-ylaniline
CID 169061430
4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
CID 168765628
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
CID 58568876
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
6-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121299023

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline (CID 168765724) is N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline is c1cnc2ccc(-c3ccc(N(c4ccc(-c5ccc6ncccc6n5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline?
The InChIKey is VKAFSRYNTVZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-2-11-45-37(6-1)38-8-3-7-36(46(38)52-45)30-12-18-33(19-13-30)51(34-20-14-31(15-21-34)39-24-26-41-43(49-39)9-4-28-47-41)35-22-16-32(17-23-35)40-25-27-42-44(50-40)10-5-29-48-42/h1-29H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline has a molecular weight of 667.77 g/mol, XLogP of 11.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline is sourced from PubChem (CID 168765724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).