N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline

C77H56N4O2 — CID 162046042

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C30H21NO.C24H17NO.C23H18N2/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20;1-2-5-18(6-3-1)19-8-12-22(13-9-19)25-23-14-10-20(11-15-23)21-7-4-16-24-17-21/h1-20,31H;1-16,25H;1-17,25H
InChIKeyYXWZOEVNBLZYCS-UHFFFAOYSA-N
MW1069.32 g/mol
LogP21.82
Rot. Bonds11

About N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline (PubChem CID 162046042) has the molecular formula C77H56N4O2 and a molecular weight of 1069.32 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline
PubChem CID162046042
Molecular FormulaC77H56N4O2
Molecular Weight1069.32 g/mol
Exact Mass1068.44
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C30H21NO.C24H17NO.C23H18N2/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20;1-2-5-18(6-3-1)19-8-12-22(13-9-19)25-23-14-10-20(11-15-23)21-7-4-16-24-17-21/h1-20,31H;1-16,25H;1-17,25H
InChIKeyYXWZOEVNBLZYCS-UHFFFAOYSA-N
XLogP21.82
TPSA75.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.32
LogP ≤ 521.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 158686254
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[11-(4-pyridin-3-ylphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150397
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466134
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline (CID 162046042) is N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline is c1ccc(-c2ccc(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline?
The InChIKey is YXWZOEVNBLZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO.C24H17NO.C23H18N2/c1-2-7-21(8-3-1)22-13-17-24(18-14-22)31-25-19-15-23(16-20-25)26-10-6-11-28-27-9-4-5-12-29(27)32-30(26)28;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20;1-2-5-18(6-3-1)19-8-12-22(13-9-19)25-23-14-10-20(11-15-23)21-7-4-16-24-17-21/h1-20,31H;1-16,25H;1-17,25H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline has a molecular weight of 1069.32 g/mol, XLogP of 21.82, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline is sourced from PubChem (CID 162046042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).