N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline

C45H30N2O — CID 139496205

IUPACN-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc(N(c5ccccc5)c5ccc(-c6cccc7cccnc67)cc5)c4)cccc23)cc1
InChIInChI=1S/C45H30N2O/c1-3-12-31(13-4-1)39-21-9-23-41-42-24-10-22-40(45(42)48-44(39)41)34-15-7-19-37(30-34)47(35-17-5-2-6-18-35)36-27-25-32(26-28-36)38-20-8-14-33-16-11-29-46-43(33)38/h1-30H
InChIKeyWIIKKYGHBDZJOQ-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline

N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline (PubChem CID 139496205) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
PubChem CID139496205
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC NameN-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline
SMILESc1ccc(-c2cccc3c2oc2c(-c4cccc(N(c5ccccc5)c5ccc(-c6cccc7cccnc67)cc5)c4)cccc23)cc1
InChIInChI=1S/C45H30N2O/c1-3-12-31(13-4-1)39-21-9-23-41-42-24-10-22-40(45(42)48-44(39)41)34-15-7-19-37(30-34)47(35-17-5-2-6-18-35)36-27-25-32(26-28-36)38-20-8-14-33-16-11-29-46-43(33)38/h1-30H
InChIKeyWIIKKYGHBDZJOQ-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]dibenzofuran-4-yl]aniline;4-methyl-N-[4-[6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-methylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[6-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline
CID 158337662
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline?
The IUPAC name of N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline (CID 139496205) is N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline?
The canonical SMILES for N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline is c1ccc(-c2cccc3c2oc2c(-c4cccc(N(c5ccccc5)c5ccc(-c6cccc7cccnc67)cc5)c4)cccc23)cc1.
What is the InChIKey of N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline?
The InChIKey is WIIKKYGHBDZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-3-12-31(13-4-1)39-21-9-23-41-42-24-10-22-40(45(42)48-44(39)41)34-15-7-19-37(30-34)47(35-17-5-2-6-18-35)36-27-25-32(26-28-36)38-20-8-14-33-16-11-29-46-43(33)38/h1-30H.
What are the key properties of N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline?
N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(6-phenyldibenzofuran-4-yl)-N-(4-quinolin-8-ylphenyl)aniline is sourced from PubChem (CID 139496205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).