N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine

C55H34N2O — CID 118312450

IUPACN-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccn5)c5cccc6c5oc5ccccc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C55H34N2O/c1-3-16-35(17-4-1)50-42-23-7-8-24-43(42)51(36-18-5-2-6-19-36)54-46-32-31-39(41-25-14-27-45(52(41)46)53(50)54)37-20-13-21-38(34-37)57(49-30-11-12-33-56-49)47-28-15-26-44-40-22-9-10-29-48(40)58-55(44)47/h1-34H
InChIKeyFYPIJOUYGQRHNZ-UHFFFAOYSA-N
MW738.89 g/mol
LogP15.41
Rot. Bonds6

About N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine

N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine (PubChem CID 118312450) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
PubChem CID118312450
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC NameN-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccn5)c5cccc6c5oc5ccccc56)c4)c4cccc-3c24)cc1
InChIInChI=1S/C55H34N2O/c1-3-16-35(17-4-1)50-42-23-7-8-24-43(42)51(36-18-5-2-6-19-36)54-46-32-31-39(41-25-14-27-45(52(41)46)53(50)54)37-20-13-21-38(34-37)57(49-30-11-12-33-56-49)47-28-15-26-44-40-22-9-10-29-48(40)58-55(44)47/h1-34H
InChIKeyFYPIJOUYGQRHNZ-UHFFFAOYSA-N
XLogP15.41
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080706

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine (CID 118312450) is N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccccn5)c5cccc6c5oc5ccccc56)c4)c4cccc-3c24)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine?
The InChIKey is FYPIJOUYGQRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-3-16-35(17-4-1)50-42-23-7-8-24-43(42)51(36-18-5-2-6-19-36)54-46-32-31-39(41-25-14-27-45(52(41)46)53(50)54)37-20-13-21-38(34-37)57(49-30-11-12-33-56-49)47-28-15-26-44-40-22-9-10-29-48(40)58-55(44)47/h1-34H.
What are the key properties of N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine?
N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine has a molecular weight of 738.89 g/mol, XLogP of 15.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 118312450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).