N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine

C48H34N6O — CID 122659567

IUPACN-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccccn5)cc4)o3)cc2)nc1
InChIInChI=1S/C48H34N6O/c1-3-29-51-47(5-1)53(41-15-7-35(8-16-41)37-25-31-49-32-26-37)43-19-11-39(12-20-43)45-23-24-46(55-45)40-13-21-44(22-14-40)54(48-6-2-4-30-52-48)42-17-9-36(10-18-42)38-27-33-50-34-28-38/h1-34H
InChIKeyBFPWEICTNWNFGX-UHFFFAOYSA-N
MW710.84 g/mol
LogP12.47
Rot. Bonds10

About N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine

N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine (PubChem CID 122659567) has the molecular formula C48H34N6O and a molecular weight of 710.84 g/mol. Its IUPAC name is N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine
PubChem CID122659567
Molecular FormulaC48H34N6O
Molecular Weight710.84 g/mol
Exact Mass710.28
IUPAC NameN-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccccn5)cc4)o3)cc2)nc1
InChIInChI=1S/C48H34N6O/c1-3-29-51-47(5-1)53(41-15-7-35(8-16-41)37-25-31-49-32-26-37)43-19-11-39(12-20-43)45-23-24-46(55-45)40-13-21-44(22-14-40)54(48-6-2-4-30-52-48)42-17-9-36(10-18-42)38-27-33-50-34-28-38/h1-34H
InChIKeyBFPWEICTNWNFGX-UHFFFAOYSA-N
XLogP12.47
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine (CID 122659567) is N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine is c1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccccn5)cc4)o3)cc2)nc1.
What is the InChIKey of N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine?
The InChIKey is BFPWEICTNWNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N6O/c1-3-29-51-47(5-1)53(41-15-7-35(8-16-41)37-25-31-49-32-26-37)43-19-11-39(12-20-43)45-23-24-46(55-45)40-13-21-44(22-14-40)54(48-6-2-4-30-52-48)42-17-9-36(10-18-42)38-27-33-50-34-28-38/h1-34H.
What are the key properties of N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine?
N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine has a molecular weight of 710.84 g/mol, XLogP of 12.47, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 122659567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).