1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine

C106H65F9N4 — CID 176876534

IUPAC1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine
SMILESFc1cc(F)cc(N(c2c(F)cccc2-c2ccccc2)c2cc(N(c3cc(F)cc(F)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4c(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc2c3c54)c1
InChIInChI=1S/C106H65F9N4/c107-73-52-74(108)57-81(56-73)116(103-85(66-26-8-1-9-27-66)40-22-41-86(103)67-28-10-2-11-29-67)97-64-98(117(82-58-75(109)53-76(110)59-82)104-87(68-30-12-3-13-31-68)42-23-43-88(104)69-32-14-4-15-33-69)93-50-51-95-100(119(84-62-79(113)55-80(114)63-84)106-91(46-25-47-96(106)115)72-38-20-7-21-39-72)65-99(94-49-48-92(97)101(93)102(94)95)118(83-60-77(111)54-78(112)61-83)105-89(70-34-16-5-17-35-70)44-24-45-90(105)71-36-18-6-19-37-71/h1-65H
InChIKeyNIJWJDVFWIXKBS-UHFFFAOYSA-N
MW1565.70 g/mol
LogP31.38
Rot. Bonds19

About 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine

1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine (PubChem CID 176876534) has the molecular formula C106H65F9N4 and a molecular weight of 1565.70 g/mol. Its IUPAC name is 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine.

Molecular Properties

Compound Name1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine
PubChem CID176876534
Molecular FormulaC106H65F9N4
Molecular Weight1565.70 g/mol
Exact Mass1564.51
IUPAC Name1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine
SMILESFc1cc(F)cc(N(c2c(F)cccc2-c2ccccc2)c2cc(N(c3cc(F)cc(F)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4c(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc2c3c54)c1
InChIInChI=1S/C106H65F9N4/c107-73-52-74(108)57-81(56-73)116(103-85(66-26-8-1-9-27-66)40-22-41-86(103)67-28-10-2-11-29-67)97-64-98(117(82-58-75(109)53-76(110)59-82)104-87(68-30-12-3-13-31-68)42-23-43-88(104)69-32-14-4-15-33-69)93-50-51-95-100(119(84-62-79(113)55-80(114)63-84)106-91(46-25-47-96(106)115)72-38-20-7-21-39-72)65-99(94-49-48-92(97)101(93)102(94)95)118(83-60-77(111)54-78(112)61-83)105-89(70-34-16-5-17-35-70)44-24-45-90(105)71-36-18-6-19-37-71/h1-65H
InChIKeyNIJWJDVFWIXKBS-UHFFFAOYSA-N
XLogP31.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.70
LogP ≤ 531.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,6-N-bis(2-fluoro-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 88598762
3-N-(2,6-diphenylphenyl)-5-fluoro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164813849
1-N,6-N-bis[2,4-difluoro-6-(3-fluorophenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099255
1-N,6-N-bis[3,5-bis(2-fluorophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine
CID 58322295
1-N,3-N-bis(2-methyl-6-phenylphenyl)-1-N,3-N-diphenyl-6,8-di(propan-2-yl)pyrene-1,3-diamine
CID 129063005
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
3,8-dimethyl-1-N,6-N-bis(2-methyl-3,6-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062664
4-[N-[6-(4-cyano-N-[2,4-difluoro-6-(4-phenylphenyl)phenyl]anilino)pyren-1-yl]-2,4-difluoro-6-(4-phenylphenyl)anilino]benzonitrile
CID 88985251
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
CID 159830028
CID 159830028
1-N,6-N-bis[2,4-difluoro-6-[2-(trifluoromethyl)phenyl]phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099283
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine?
The IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine (CID 176876534) is 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine.
What is the SMILES notation for 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine?
The canonical SMILES for 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine is Fc1cc(F)cc(N(c2c(F)cccc2-c2ccccc2)c2cc(N(c3cc(F)cc(F)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4c(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)cc(N(c5cc(F)cc(F)c5)c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc2c3c54)c1.
What is the InChIKey of 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine?
The InChIKey is NIJWJDVFWIXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H65F9N4/c107-73-52-74(108)57-81(56-73)116(103-85(66-26-8-1-9-27-66)40-22-41-86(103)67-28-10-2-11-29-67)97-64-98(117(82-58-75(109)53-76(110)59-82)104-87(68-30-12-3-13-31-68)42-23-43-88(104)69-32-14-4-15-33-69)93-50-51-95-100(119(84-62-79(113)55-80(114)63-84)106-91(46-25-47-96(106)115)72-38-20-7-21-39-72)65-99(94-49-48-92(97)101(93)102(94)95)118(83-60-77(111)54-78(112)61-83)105-89(70-34-16-5-17-35-70)44-24-45-90(105)71-36-18-6-19-37-71/h1-65H.
What are the key properties of 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine?
1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine has a molecular weight of 1565.70 g/mol, XLogP of 31.38, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,6-N,8-N-tetrakis(3,5-difluorophenyl)-1-N,3-N,6-N-tris(2,6-diphenylphenyl)-8-N-(2-fluoro-6-phenylphenyl)pyrene-1,3,6,8-tetramine is sourced from PubChem (CID 176876534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).