(4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene

C72H68Br2N8 — CID 137158184

About (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene

(4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene (PubChem CID 137158184) has the molecular formula C72H68Br2N8 and a molecular weight of 1205.20 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene.

Molecular Properties

• Compound Name: (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene
• PubChem CID: 137158184
• Molecular Formula: C72H68Br2N8
• Molecular Weight: 1205.20 g/mol
• Exact Mass: 1202.39
• IUPAC Name: (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene
• SMILES: CC(C)(C)c1cc(-c2c3nc(c(-c4ccc(/N=N/c5ccc(Br)cc5)cc4)c4ccc([nH]4)c(-c4ccc(/N=N/c5ccc(Br)cc5)cc4)c4nc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1
• InChI: InChI=1S/C72H68Br2N8/c1-69(2,3)47-37-45(38-48(41-47)70(4,5)6)67-61-33-31-59(76-61)65(43-13-21-53(22-14-43)79-81-55-25-17-51(73)18-26-55)57-29-30-58(75-57)66(44-15-23-54(24-16-44)80-82-56-27-19-52(74)20-28-56)60-32-34-62(77-60)68(64-36-35-63(67)78-64)46-39-49(71(7,8)9)42-50(40-46)72(10,11)12/h13-42,75,78H,1-12H3/b65-57-,65-59-,66-58-,66-60-,67-61-,67-63-,68-62-,68-64-,81-79+,82-80+
• InChIKey: VGKULRBHVYNYAI-KPICWVAVSA-N
• XLogP: 22.87
• TPSA: 106.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.20
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene?

The IUPAC name of (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene (CID 137158184) is (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene.

What is the SMILES notation for (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene?

The canonical SMILES for (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene is CC(C)(C)c1cc(-c2c3nc(c(-c4ccc(/N=N/c5ccc(Br)cc5)cc4)c4ccc([nH]4)c(-c4ccc(/N=N/c5ccc(Br)cc5)cc4)c4nc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1.

What is the InChIKey of (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene?

The InChIKey is VGKULRBHVYNYAI-KPICWVAVSA-N. The full InChI is InChI=1S/C72H68Br2N8/c1-69(2,3)47-37-45(38-48(41-47)70(4,5)6)67-61-33-31-59(76-61)65(43-13-21-53(22-14-43)79-81-55-25-17-51(73)18-26-55)57-29-30-58(75-57)66(44-15-23-54(24-16-44)80-82-56-27-19-52(74)20-28-56)60-32-34-62(77-60)68(64-36-35-63(67)78-64)46-39-49(71(7,8)9)42-50(40-46)72(10,11)12/h13-42,75,78H,1-12H3/b65-57-,65-59-,66-58-,66-60-,67-61-,67-63-,68-62-,68-64-,81-79+,82-80+.

What are the key properties of (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene?

(4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene has a molecular weight of 1205.20 g/mol, XLogP of 22.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromophenyl)-[4-[20-[4-[(4-bromophenyl)diazenyl]phenyl]-10,15-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]diazene is sourced from PubChem (CID 137158184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).