8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide

C199H157Cl3N26O8 — CID 159746814

About 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide

8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 159746814) has the molecular formula C199H157Cl3N26O8 and a molecular weight of 3146.98 g/mol. Its IUPAC name is 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
• PubChem CID: 159746814
• Molecular Formula: C199H157Cl3N26O8
• Molecular Weight: 3146.98 g/mol
• Exact Mass: 3143.17
• IUPAC Name: 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
• SMILES: CC#Cc1ccccc1N(C)C(=O)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7cc(Cl)ccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7cc(Cl)ccc7[nH]c6c45)cc3)cc2)c1OC.CCc1ccccc1N(C)C(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(OC)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1C
• InChI: InChI=1S/C100H76Cl3N13O4.C99H81N13O4/c1-10-19-60-22-15-18-25-87(60)115(8)100(119)81-52-63-28-46-75-80-55-66(103)31-49-84(80)106-95(75)90(63)96(97(81)120-9)112-109-69-36-42-72(43-37-69)116(70-38-32-67(33-39-70)107-110-91-56(4)76(98(117)113(6)85-23-16-13-20-58(85)11-2)50-61-26-44-73-78-53-64(101)29-47-82(78)104-93(73)88(61)91)71-40-34-68(35-41-71)108-111-92-57(5)77(99(118)114(7)86-24-17-14-21-59(86)12-3)51-62-27-45-74-79-54-65(102)30-48-83(79)105-94(74)89(62)92;1-10-60-25-13-22-34-84(60)109(6)97(113)78-55-63-37-52-75-72-28-16-19-31-81(72)100-92(75)87(63)90(58(78)4)106-103-66-40-46-69(47-41-66)112(70-48-42-67(43-49-70)104-107-91-59(5)79(98(114)110(7)85-35-23-14-26-61(85)11-2)56-64-38-53-76-73-29-17-20-32-82(73)101-93(76)88(64)91)71-50-44-68(45-51-71)105-108-95-89-65(39-54-77-74-30-18-21-33-83(74)102-94(77)89)57-80(96(95)116-9)99(115)111(8)86-36-24-15-27-62(86)12-3/h13-18,20-55,104-106H,11-12H2,1-9H3;13-57,100-102H,10-12H2,1-9H3/b110-107+,111-108+,112-109+;106-103+,107-104+,108-105+
• InChIKey: NDDHREGRBFTWFM-UMSCTIPHSA-N
• XLogP: 55.59
• TPSA: 389.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 37
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3146.98
LogP ≤ 5	55.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?

The IUPAC name of 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide (CID 159746814) is 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide.

What is the SMILES notation for 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?

The canonical SMILES for 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide is CC#Cc1ccccc1N(C)C(=O)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7cc(Cl)ccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7cc(Cl)ccc7[nH]c6c45)cc3)cc2)c1OC.CCc1ccccc1N(C)C(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(C)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(OC)c(C(=O)N(C)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1C.

What is the InChIKey of 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?

The InChIKey is NDDHREGRBFTWFM-UMSCTIPHSA-N. The full InChI is InChI=1S/C100H76Cl3N13O4.C99H81N13O4/c1-10-19-60-22-15-18-25-87(60)115(8)100(119)81-52-63-28-46-75-80-55-66(103)31-49-84(80)106-95(75)90(63)96(97(81)120-9)112-109-69-36-42-72(43-37-69)116(70-38-32-67(33-39-70)107-110-91-56(4)76(98(117)113(6)85-23-16-13-20-58(85)11-2)50-61-26-44-73-78-53-64(101)29-47-82(78)104-93(73)88(61)91)71-40-34-68(35-41-71)108-111-92-57(5)77(99(118)114(7)86-24-17-14-21-59(86)12-3)51-62-27-45-74-79-54-65(102)30-48-83(79)105-94(74)89(62)92;1-10-60-25-13-22-34-84(60)109(6)97(113)78-55-63-37-52-75-72-28-16-19-31-81(72)100-92(75)87(63)90(58(78)4)106-103-66-40-46-69(47-41-66)112(70-48-42-67(43-49-70)104-107-91-59(5)79(98(114)110(7)85-35-23-14-26-61(85)11-2)56-64-38-53-76-73-29-17-20-32-82(73)101-93(76)88(64)91)71-50-44-68(45-51-71)105-108-95-89-65(39-54-77-74-30-18-21-33-83(74)102-94(77)89)57-80(96(95)116-9)99(115)111(8)86-36-24-15-27-62(86)12-3/h13-18,20-55,104-106H,11-12H2,1-9H3;13-57,100-102H,10-12H2,1-9H3/b110-107+,111-108+,112-109+;106-103+,107-104+,108-105+.

What are the key properties of 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?

8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 3146.98 g/mol, XLogP of 55.59, 37 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 159746814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).