2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate

C200H136N4O8-4 — CID 165073056

IUPAC2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
SMILES[O-]C1=C(c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1O.[O-]C1=C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1O
InChIInChI=1S/C112H78N2O4.C88H62N2O4/c115-103-73-91(113(87-61-53-83(54-62-87)105-93(75-29-9-1-10-30-75)45-25-46-94(105)76-31-11-2-12-32-76)88-63-55-84(56-64-88)106-95(77-33-13-3-14-34-77)47-26-48-96(106)78-35-15-4-16-36-78)69-71-101(103)109-111(117)110(112(109)118)102-72-70-92(74-104(102)116)114(89-65-57-85(58-66-89)107-97(79-37-17-5-18-38-79)49-27-50-98(107)80-39-19-6-20-40-80)90-67-59-86(60-68-90)108-99(81-41-21-7-22-42-81)51-28-52-100(108)82-43-23-8-24-44-82;91-83-57-71(89(67-45-37-63(38-46-67)77-33-17-13-29-73(77)59-21-5-1-6-22-59)68-47-39-64(40-48-68)78-34-18-14-30-74(78)60-23-7-2-8-24-60)53-55-81(83)85-87(93)86(88(85)94)82-56-54-72(58-84(82)92)90(69-49-41-65(42-50-69)79-35-19-15-31-75(79)61-25-9-3-10-26-61)70-51-43-66(44-52-70)80-36-20-16-32-76(80)62-27-11-4-12-28-62/h1-74,115-118H;1-58,91-94H/p-4
InChIKeyTVTWZFRJWKERDU-UHFFFAOYSA-J
MW2723.31 g/mol
LogP49.13
Rot. Bonds36

About 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate

2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate (PubChem CID 165073056) has the molecular formula C200H136N4O8-4 and a molecular weight of 2723.31 g/mol. Its IUPAC name is 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate.

Molecular Properties

Compound Name2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
PubChem CID165073056
Molecular FormulaC200H136N4O8-4
Molecular Weight2723.31 g/mol
Exact Mass2721.04
IUPAC Name2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
SMILES[O-]C1=C(c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1O.[O-]C1=C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1O
InChIInChI=1S/C112H78N2O4.C88H62N2O4/c115-103-73-91(113(87-61-53-83(54-62-87)105-93(75-29-9-1-10-30-75)45-25-46-94(105)76-31-11-2-12-32-76)88-63-55-84(56-64-88)106-95(77-33-13-3-14-34-77)47-26-48-96(106)78-35-15-4-16-36-78)69-71-101(103)109-111(117)110(112(109)118)102-72-70-92(74-104(102)116)114(89-65-57-85(58-66-89)107-97(79-37-17-5-18-38-79)49-27-50-98(107)80-39-19-6-20-40-80)90-67-59-86(60-68-90)108-99(81-41-21-7-22-42-81)51-28-52-100(108)82-43-23-8-24-44-82;91-83-57-71(89(67-45-37-63(38-46-67)77-33-17-13-29-73(77)59-21-5-1-6-22-59)68-47-39-64(40-48-68)78-34-18-14-30-74(78)60-23-7-2-8-24-60)53-55-81(83)85-87(93)86(88(85)94)82-56-54-72(58-84(82)92)90(69-49-41-65(42-50-69)79-35-19-15-31-75(79)61-25-9-3-10-26-61)70-51-43-66(44-52-70)80-36-20-16-32-76(80)62-27-11-4-12-28-62/h1-74,115-118H;1-58,91-94H/p-4
InChIKeyTVTWZFRJWKERDU-UHFFFAOYSA-J
XLogP49.13
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.31
LogP ≤ 549.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate with MolForge

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Related Compounds

N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate?
The IUPAC name of 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate (CID 165073056) is 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate.
What is the SMILES notation for 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate?
The canonical SMILES for 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate is [O-]C1=C(c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1O.[O-]C1=C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2O)C([O-])=C1c1ccc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1O.
What is the InChIKey of 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate?
The InChIKey is TVTWZFRJWKERDU-UHFFFAOYSA-J. The full InChI is InChI=1S/C112H78N2O4.C88H62N2O4/c115-103-73-91(113(87-61-53-83(54-62-87)105-93(75-29-9-1-10-30-75)45-25-46-94(105)76-31-11-2-12-32-76)88-63-55-84(56-64-88)106-95(77-33-13-3-14-34-77)47-26-48-96(106)78-35-15-4-16-36-78)69-71-101(103)109-111(117)110(112(109)118)102-72-70-92(74-104(102)116)114(89-65-57-85(58-66-89)107-97(79-37-17-5-18-38-79)49-27-50-98(107)80-39-19-6-20-40-80)90-67-59-86(60-68-90)108-99(81-41-21-7-22-42-81)51-28-52-100(108)82-43-23-8-24-44-82;91-83-57-71(89(67-45-37-63(38-46-67)77-33-17-13-29-73(77)59-21-5-1-6-22-59)68-47-39-64(40-48-68)78-34-18-14-30-74(78)60-23-7-2-8-24-60)53-55-81(83)85-87(93)86(88(85)94)82-56-54-72(58-84(82)92)90(69-49-41-65(42-50-69)79-35-19-15-31-75(79)61-25-9-3-10-26-61)70-51-43-66(44-52-70)80-36-20-16-32-76(80)62-27-11-4-12-28-62/h1-74,115-118H;1-58,91-94H/p-4.
What are the key properties of 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate?
2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate has a molecular weight of 2723.31 g/mol, XLogP of 49.13, 36 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate is sourced from PubChem (CID 165073056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).