[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate

C124H100N10O10 — CID 59271170

IUPAC[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate
SMILESCC(=O)ON=C(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-n2c3ccc(C(=O)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3cc(/C(CCCCCCCC/C(=N/OC(C)=O)c4ccc5c(c4)c4cc(C(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4ccc(C(CC(C)n5c6ccccc6c6ccccc65)=NOC(C)=O)cc4)=N\OC(C)=O)ccc32)cc1
InChIInChI=1S/C124H100N10O10/c1-77(129-111-39-21-13-29-95(111)96-30-14-22-40-112(96)129)71-109(127-143-81(5)137)83-47-59-91(60-48-83)133-119-67-55-87(73-103(119)105-75-89(57-69-121(105)133)123(139)85-51-63-93(64-52-85)131-115-43-25-17-33-99(115)100-34-18-26-44-116(100)131)107(125-141-79(3)135)37-11-9-7-8-10-12-38-108(126-142-80(4)136)88-56-68-120-104(74-88)106-76-90(124(140)86-53-65-94(66-54-86)132-117-45-27-19-35-101(117)102-36-20-28-46-118(102)132)58-70-122(106)134(120)92-61-49-84(50-62-92)110(128-144-82(6)138)72-78(2)130-113-41-23-15-31-97(113)98-32-16-24-42-114(98)130/h13-36,39-70,73-78H,7-12,37-38,71-72H2,1-6H3/b125-107-,126-108-,127-109?,128-110?
InChIKeyCGFIKDGUDGAWCX-MQZWUANQSA-N
MW1890.22 g/mol
LogP28.95
Rot. Bonds31

About [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate

[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate (PubChem CID 59271170) has the molecular formula C124H100N10O10 and a molecular weight of 1890.22 g/mol. Its IUPAC name is [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate
PubChem CID59271170
Molecular FormulaC124H100N10O10
Molecular Weight1890.22 g/mol
Exact Mass1888.76
IUPAC Name[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate
SMILESCC(=O)ON=C(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-n2c3ccc(C(=O)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3cc(/C(CCCCCCCC/C(=N/OC(C)=O)c4ccc5c(c4)c4cc(C(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4ccc(C(CC(C)n5c6ccccc6c6ccccc65)=NOC(C)=O)cc4)=N\OC(C)=O)ccc32)cc1
InChIInChI=1S/C124H100N10O10/c1-77(129-111-39-21-13-29-95(111)96-30-14-22-40-112(96)129)71-109(127-143-81(5)137)83-47-59-91(60-48-83)133-119-67-55-87(73-103(119)105-75-89(57-69-121(105)133)123(139)85-51-63-93(64-52-85)131-115-43-25-17-33-99(115)100-34-18-26-44-116(100)131)107(125-141-79(3)135)37-11-9-7-8-10-12-38-108(126-142-80(4)136)88-56-68-120-104(74-88)106-76-90(124(140)86-53-65-94(66-54-86)132-117-45-27-19-35-101(117)102-36-20-28-46-118(102)132)58-70-122(106)134(120)92-61-49-84(50-62-92)110(128-144-82(6)138)72-78(2)130-113-41-23-15-31-97(113)98-32-16-24-42-114(98)130/h13-36,39-70,73-78H,7-12,37-38,71-72H2,1-6H3/b125-107-,126-108-,127-109?,128-110?
InChIKeyCGFIKDGUDGAWCX-MQZWUANQSA-N
XLogP28.95
TPSA218.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.22
LogP ≤ 528.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate?
The IUPAC name of [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate (CID 59271170) is [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate.
What is the SMILES notation for [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate?
The canonical SMILES for [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate is CC(=O)ON=C(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-n2c3ccc(C(=O)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c3cc(/C(CCCCCCCC/C(=N/OC(C)=O)c4ccc5c(c4)c4cc(C(=O)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4ccc(C(CC(C)n5c6ccccc6c6ccccc65)=NOC(C)=O)cc4)=N\OC(C)=O)ccc32)cc1.
What is the InChIKey of [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate?
The InChIKey is CGFIKDGUDGAWCX-MQZWUANQSA-N. The full InChI is InChI=1S/C124H100N10O10/c1-77(129-111-39-21-13-29-95(111)96-30-14-22-40-112(96)129)71-109(127-143-81(5)137)83-47-59-91(60-48-83)133-119-67-55-87(73-103(119)105-75-89(57-69-121(105)133)123(139)85-51-63-93(64-52-85)131-115-43-25-17-33-99(115)100-34-18-26-44-116(100)131)107(125-141-79(3)135)37-11-9-7-8-10-12-38-108(126-142-80(4)136)88-56-68-120-104(74-88)106-76-90(124(140)86-53-65-94(66-54-86)132-117-45-27-19-35-101(117)102-36-20-28-46-118(102)132)58-70-122(106)134(120)92-61-49-84(50-62-92)110(128-144-82(6)138)72-78(2)130-113-41-23-15-31-97(113)98-32-16-24-42-114(98)130/h13-36,39-70,73-78H,7-12,37-38,71-72H2,1-6H3/b125-107-,126-108-,127-109?,128-110?.
What are the key properties of [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate?
[(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate has a molecular weight of 1890.22 g/mol, XLogP of 28.95, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(10Z)-1,10-bis[9-[4-[N-acetyloxy-C-(2-carbazol-9-ylpropyl)carbonimidoyl]phenyl]-6-(4-carbazol-9-ylbenzoyl)carbazol-3-yl]-10-acetyloxyiminodecylidene]amino] acetate is sourced from PubChem (CID 59271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).