4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline

C117H72F6N8O2 — CID 158293067

IUPAC4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline
SMILESCOc1cccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2cccc(OC)c2)c1.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc(C(F)(F)F)cc2)cc1.N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)cc1
InChIInChI=1S/C39H22F6N2.C39H22N4.C39H28N2O2/c40-38(41,42)27-8-14-30(15-9-27)47(31-16-10-28(11-17-31)39(43,44)45)29-12-5-23(6-13-29)32-18-7-24-3-4-25-22-26-2-1-21-46-37(26)34-20-19-33(32)35(24)36(25)34;40-23-25-3-12-31(13-4-25)43(32-14-5-26(24-41)6-15-32)33-16-9-27(10-17-33)34-18-11-28-7-8-29-22-30-2-1-21-42-39(30)36-20-19-35(34)37(28)38(29)36;1-42-32-9-3-7-30(23-32)41(31-8-4-10-33(24-31)43-2)29-16-13-25(14-17-29)34-18-15-26-11-12-27-22-28-6-5-21-40-39(28)36-20-19-35(34)37(26)38(27)36/h1-22H;1-22H;3-24H,1-2H3
InChIKeyGLOWSWJOUUDZML-UHFFFAOYSA-N
MW1735.90 g/mol
LogP32.61
Rot. Bonds14

About 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline

4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline (PubChem CID 158293067) has the molecular formula C117H72F6N8O2 and a molecular weight of 1735.90 g/mol. Its IUPAC name is 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline
PubChem CID158293067
Molecular FormulaC117H72F6N8O2
Molecular Weight1735.90 g/mol
Exact Mass1734.57
IUPAC Name4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline
SMILESCOc1cccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2cccc(OC)c2)c1.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc(C(F)(F)F)cc2)cc1.N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)cc1
InChIInChI=1S/C39H22F6N2.C39H22N4.C39H28N2O2/c40-38(41,42)27-8-14-30(15-9-27)47(31-16-10-28(11-17-31)39(43,44)45)29-12-5-23(6-13-29)32-18-7-24-3-4-25-22-26-2-1-21-46-37(26)34-20-19-33(32)35(24)36(25)34;40-23-25-3-12-31(13-4-25)43(32-14-5-26(24-41)6-15-32)33-16-9-27(10-17-33)34-18-11-28-7-8-29-22-30-2-1-21-42-39(30)36-20-19-35(34)37(28)38(29)36;1-42-32-9-3-7-30(23-32)41(31-8-4-10-33(24-31)43-2)29-16-13-25(14-17-29)34-18-15-26-11-12-27-22-28-6-5-21-40-39(28)36-20-19-35(34)37(26)38(27)36/h1-22H;1-22H;3-24H,1-2H3
InChIKeyGLOWSWJOUUDZML-UHFFFAOYSA-N
XLogP32.61
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001735.90
LogP ≤ 532.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline (CID 158293067) is 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline is COc1cccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2cccc(OC)c2)c1.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc(C(F)(F)F)cc2)cc1.N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)cc1.
What is the InChIKey of 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is GLOWSWJOUUDZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22F6N2.C39H22N4.C39H28N2O2/c40-38(41,42)27-8-14-30(15-9-27)47(31-16-10-28(11-17-31)39(43,44)45)29-12-5-23(6-13-29)32-18-7-24-3-4-25-22-26-2-1-21-46-37(26)34-20-19-33(32)35(24)36(25)34;40-23-25-3-12-31(13-4-25)43(32-14-5-26(24-41)6-15-32)33-16-9-27(10-17-33)34-18-11-28-7-8-29-22-30-2-1-21-42-39(30)36-20-19-35(34)37(28)38(29)36;1-42-32-9-3-7-30(23-32)41(31-8-4-10-33(24-31)43-2)29-16-13-25(14-17-29)34-18-15-26-11-12-27-22-28-6-5-21-40-39(28)36-20-19-35(34)37(26)38(27)36/h1-22H;1-22H;3-24H,1-2H3.
What are the key properties of 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 1735.90 g/mol, XLogP of 32.61, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)anilino)benzonitrile;3-methoxy-N-(3-methoxyphenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)aniline;4-pyreno[1,2-b]pyridin-1-yl-N,N-bis[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 158293067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).