4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline

C60H32F10N4O2 — CID 58939655

IUPAC4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline
SMILESFc1c(F)c(F)c(-c2oc(-c3ccc(-c4nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5c(F)c(F)c(F)c(F)c5F)o4)cc3)nc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C60H32F10N4O2/c61-45-43(46(62)50(66)53(69)49(45)65)57-55(33-25-29-41(30-26-33)73(37-13-5-1-6-14-37)38-15-7-2-8-16-38)71-59(75-57)35-21-23-36(24-22-35)60-72-56(58(76-60)44-47(63)51(67)54(70)52(68)48(44)64)34-27-31-42(32-28-34)74(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H
InChIKeyFZMPALJZMQNSQW-UHFFFAOYSA-N
MW1030.92 g/mol
LogP18.00
Rot. Bonds12

About 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline

4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline (PubChem CID 58939655) has the molecular formula C60H32F10N4O2 and a molecular weight of 1030.92 g/mol. Its IUPAC name is 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline
PubChem CID58939655
Molecular FormulaC60H32F10N4O2
Molecular Weight1030.92 g/mol
Exact Mass1030.24
IUPAC Name4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline
SMILESFc1c(F)c(F)c(-c2oc(-c3ccc(-c4nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5c(F)c(F)c(F)c(F)c5F)o4)cc3)nc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C60H32F10N4O2/c61-45-43(46(62)50(66)53(69)49(45)65)57-55(33-25-29-41(30-26-33)73(37-13-5-1-6-14-37)38-15-7-2-8-16-38)71-59(75-57)35-21-23-36(24-22-35)60-72-56(58(76-60)44-47(63)51(67)54(70)52(68)48(44)64)34-27-31-42(32-28-34)74(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H
InChIKeyFZMPALJZMQNSQW-UHFFFAOYSA-N
XLogP18.00
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.92
LogP ≤ 518.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
CID 102107695
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
4-[2-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-diethoxyaniline
CID 23199290
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
4-[2-[4-[(E)-2-[4-[(E)-2-[4-[4-[4-(dimethylamino)phenyl]-5-phenyl-1,3-oxazol-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-5-phenyl-1,3-oxazol-4-yl]-N,N-dimethylaniline
CID 58939652
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline (CID 58939655) is 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline is Fc1c(F)c(F)c(-c2oc(-c3ccc(-c4nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5c(F)c(F)c(F)c(F)c5F)o4)cc3)nc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1F.
What is the InChIKey of 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline?
The InChIKey is FZMPALJZMQNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F10N4O2/c61-45-43(46(62)50(66)53(69)49(45)65)57-55(33-25-29-41(30-26-33)73(37-13-5-1-6-14-37)38-15-7-2-8-16-38)71-59(75-57)35-21-23-36(24-22-35)60-72-56(58(76-60)44-47(63)51(67)54(70)52(68)48(44)64)34-27-31-42(32-28-34)74(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H.
What are the key properties of 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline?
4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline has a molecular weight of 1030.92 g/mol, XLogP of 18.00, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3,4,5,6-pentafluorophenyl)-2-[4-[5-(2,3,4,5,6-pentafluorophenyl)-4-[4-(N-phenylanilino)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 58939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).