(2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium

C73H62N9O4+ — CID 161240089

About (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium

(2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium (PubChem CID 161240089) has the molecular formula C73H62N9O4+ and a molecular weight of 1129.36 g/mol. Its IUPAC name is (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium.

Molecular Properties

• Compound Name: (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium
• PubChem CID: 161240089
• Molecular Formula: C73H62N9O4+
• Molecular Weight: 1129.36 g/mol
• Exact Mass: 1128.49
• IUPAC Name: (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium
• SMILES: CCc1ccccc1N(C)C(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(C)cc3)c3ccc(/N=N/c4c(OC)c([N+](C)(C=O)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1OC
• InChI: InChI=1S/C73H61N9O4/c1-8-46-18-10-16-24-62(46)80(4)73(84)59-42-48-28-40-57-55-20-12-14-22-60(55)74-67(57)65(48)69(71(59)85-6)78-76-50-30-36-53(37-31-50)81(52-34-26-45(3)27-35-52)54-38-32-51(33-39-54)77-79-70-66-49(29-41-58-56-21-13-15-23-61(56)75-68(58)66)43-64(72(70)86-7)82(5,44-83)63-25-17-11-19-47(63)9-2/h10-44H,8-9H2,1-7H3,(H-,74,75,76,77,84)/p+1
• InChIKey: QKGQSGPDWAFROD-UHFFFAOYSA-O
• XLogP: 19.71
• TPSA: 140.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.36
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium?

The IUPAC name of (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium (CID 161240089) is (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium.

What is the SMILES notation for (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium?

The canonical SMILES for (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium is CCc1ccccc1N(C)C(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(C)cc3)c3ccc(/N=N/c4c(OC)c([N+](C)(C=O)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1OC.

What is the InChIKey of (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium?

The InChIKey is QKGQSGPDWAFROD-UHFFFAOYSA-O. The full InChI is InChI=1S/C73H61N9O4/c1-8-46-18-10-16-24-62(46)80(4)73(84)59-42-48-28-40-57-55-20-12-14-22-60(55)74-67(57)65(48)69(71(59)85-6)78-76-50-30-36-53(37-31-50)81(52-34-26-45(3)27-35-52)54-38-32-51(33-39-54)77-79-70-66-49(29-41-58-56-21-13-15-23-61(56)75-68(58)66)43-64(72(70)86-7)82(5,44-83)63-25-17-11-19-47(63)9-2/h10-44H,8-9H2,1-7H3,(H-,74,75,76,77,84)/p+1.

What are the key properties of (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium?

(2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium has a molecular weight of 1129.36 g/mol, XLogP of 19.71, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium is sourced from PubChem (CID 161240089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).