4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate

C248H187N19O9S2-4 — CID 160867674

IUPAC4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate
SMILESCOc1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1S(=O)(=O)[O-].COc1cccc2nc(-c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)[n-]c12.O=S(=O)([O-])c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.[O-]c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cn1
InChIInChI=1S/C68H51N6O.C61H48N4O4S.C60H46N4O3S.C59H45N5O/c1-75-66-34-20-33-65-67(66)70-68(69-65)64-49-62(74(56-31-18-7-19-32-56)61-45-43-59(44-46-61)72(53-25-12-4-13-26-53)54-27-14-5-15-28-54)47-48-63(64)50-35-37-57(38-36-50)73(55-29-16-6-17-30-55)60-41-39-58(40-42-60)71(51-21-8-2-9-22-51)52-23-10-3-11-24-52;1-69-60-44-56(64(50-28-16-6-17-29-50)54-36-32-52(33-37-54)62(46-20-8-2-9-21-46)47-22-10-3-11-23-47)40-42-58(60)59-43-41-57(45-61(59)70(66,67)68)65(51-30-18-7-19-31-51)55-38-34-53(35-39-55)63(48-24-12-4-13-25-48)49-26-14-5-15-27-49;65-68(66,67)60-45-58(64(52-29-17-6-18-30-52)57-41-39-55(40-42-57)62(49-23-11-3-12-24-49)50-25-13-4-14-26-50)43-44-59(60)46-31-33-53(34-32-46)63(51-27-15-5-16-28-51)56-37-35-54(36-38-56)61(47-19-7-1-8-20-47)48-21-9-2-10-22-48;65-59-43-55(63(49-27-15-5-16-28-49)53-35-31-51(32-36-53)61(45-19-7-1-8-20-45)46-21-9-2-10-22-46)39-41-57(59)58-42-40-56(44-60-58)64(50-29-17-6-18-30-50)54-37-33-52(34-38-54)62(47-23-11-3-12-24-47)48-25-13-4-14-26-48/h2-49H,1H3;2-45H,1H3,(H,66,67,68);1-45H,(H,65,66,67);1-44,65H/q-1;;;/p-3
InChIKeySLIMUYWOBKLYHE-UHFFFAOYSA-K
MW3641.48 g/mol
LogP66.40
Rot. Bonds57

About 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate

4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate (PubChem CID 160867674) has the molecular formula C248H187N19O9S2-4 and a molecular weight of 3641.48 g/mol. Its IUPAC name is 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate.

Molecular Properties

Compound Name4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate
PubChem CID160867674
Molecular FormulaC248H187N19O9S2-4
Molecular Weight3641.48 g/mol
Exact Mass3638.42
IUPAC Name4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate
SMILESCOc1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1S(=O)(=O)[O-].COc1cccc2nc(-c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)[n-]c12.O=S(=O)([O-])c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.[O-]c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cn1
InChIInChI=1S/C68H51N6O.C61H48N4O4S.C60H46N4O3S.C59H45N5O/c1-75-66-34-20-33-65-67(66)70-68(69-65)64-49-62(74(56-31-18-7-19-32-56)61-45-43-59(44-46-61)72(53-25-12-4-13-26-53)54-27-14-5-15-28-54)47-48-63(64)50-35-37-57(38-36-50)73(55-29-16-6-17-30-55)60-41-39-58(40-42-60)71(51-21-8-2-9-22-51)52-23-10-3-11-24-52;1-69-60-44-56(64(50-28-16-6-17-29-50)54-36-32-52(33-37-54)62(46-20-8-2-9-21-46)47-22-10-3-11-23-47)40-42-58(60)59-43-41-57(45-61(59)70(66,67)68)65(51-30-18-7-19-31-51)55-38-34-53(35-39-55)63(48-24-12-4-13-25-48)49-26-14-5-15-27-49;65-68(66,67)60-45-58(64(52-29-17-6-18-30-52)57-41-39-55(40-42-57)62(49-23-11-3-12-24-49)50-25-13-4-14-26-50)43-44-59(60)46-31-33-53(34-32-46)63(51-27-15-5-16-28-51)56-37-35-54(36-38-56)61(47-19-7-1-8-20-47)48-21-9-2-10-22-48;65-59-43-55(63(49-27-15-5-16-28-49)53-35-31-51(32-36-53)61(45-19-7-1-8-20-45)46-21-9-2-10-22-46)39-41-57(59)58-42-40-56(44-60-58)64(50-29-17-6-18-30-50)54-37-33-52(34-38-54)62(47-23-11-3-12-24-47)48-25-13-4-14-26-48/h2-49H,1H3;2-45H,1H3,(H,66,67,68);1-45H,(H,65,66,67);1-44,65H/q-1;;;/p-3
InChIKeySLIMUYWOBKLYHE-UHFFFAOYSA-K
XLogP66.40
TPSA247.64 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds57
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003641.48
LogP ≤ 566.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate?
The IUPAC name of 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate (CID 160867674) is 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate.
What is the SMILES notation for 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate?
The canonical SMILES for 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate is COc1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1S(=O)(=O)[O-].COc1cccc2nc(-c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)[n-]c12.O=S(=O)([O-])c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.[O-]c1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cn1.
What is the InChIKey of 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate?
The InChIKey is SLIMUYWOBKLYHE-UHFFFAOYSA-K. The full InChI is InChI=1S/C68H51N6O.C61H48N4O4S.C60H46N4O3S.C59H45N5O/c1-75-66-34-20-33-65-67(66)70-68(69-65)64-49-62(74(56-31-18-7-19-32-56)61-45-43-59(44-46-61)72(53-25-12-4-13-26-53)54-27-14-5-15-28-54)47-48-63(64)50-35-37-57(38-36-50)73(55-29-16-6-17-30-55)60-41-39-58(40-42-60)71(51-21-8-2-9-22-51)52-23-10-3-11-24-52;1-69-60-44-56(64(50-28-16-6-17-29-50)54-36-32-52(33-37-54)62(46-20-8-2-9-21-46)47-22-10-3-11-23-47)40-42-58(60)59-43-41-57(45-61(59)70(66,67)68)65(51-30-18-7-19-31-51)55-38-34-53(35-39-55)63(48-24-12-4-13-25-48)49-26-14-5-15-27-49;65-68(66,67)60-45-58(64(52-29-17-6-18-30-52)57-41-39-55(40-42-57)62(49-23-11-3-12-24-49)50-25-13-4-14-26-50)43-44-59(60)46-31-33-53(34-32-46)63(51-27-15-5-16-28-51)56-37-35-54(36-38-56)61(47-19-7-1-8-20-47)48-21-9-2-10-22-48;65-59-43-55(63(49-27-15-5-16-28-49)53-35-31-51(32-36-53)61(45-19-7-1-8-20-45)46-21-9-2-10-22-46)39-41-57(59)58-42-40-56(44-60-58)64(50-29-17-6-18-30-50)54-37-33-52(34-38-54)62(47-23-11-3-12-24-47)48-25-13-4-14-26-48/h2-49H,1H3;2-45H,1H3,(H,66,67,68);1-45H,(H,65,66,67);1-44,65H/q-1;;;/p-3.
What are the key properties of 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate?
4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate has a molecular weight of 3641.48 g/mol, XLogP of 66.40, 57 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-(4-methoxybenzimidazol-3-id-2-yl)-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;2-[2-methoxy-4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-5-(N-[4-(N-phenylanilino)phenyl]anilino)benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzenesulfonate;5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-[5-(N-[4-(N-phenylanilino)phenyl]anilino)-2-pyridinyl]phenolate is sourced from PubChem (CID 160867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).