bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene

C102H70N10O2 — CID 101391246

About bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene

bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene (PubChem CID 101391246) has the molecular formula C102H70N10O2 and a molecular weight of 1467.75 g/mol. Its IUPAC name is bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene.

Molecular Properties

• Compound Name: bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene
• PubChem CID: 101391246
• Molecular Formula: C102H70N10O2
• Molecular Weight: 1467.75 g/mol
• Exact Mass: 1466.57
• IUPAC Name: bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene
• SMILES: C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(COc4ccc(/N=N/c5ccc(OCc6ccc(-c7c8nc(c(-c9ccccc9)c9ccc([nH]9)c(-c9ccccc9)c9nc(c(-c%10ccccc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)cc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
• InChI: InChI=1S/C102H70N10O2/c1-7-19-67(20-8-1)95-79-47-51-83(103-79)97(69-23-11-3-12-24-69)87-55-59-91(107-87)101(92-60-56-88(108-92)98(70-25-13-4-14-26-70)84-52-48-80(95)104-84)73-35-31-65(32-36-73)63-113-77-43-39-75(40-44-77)111-112-76-41-45-78(46-42-76)114-64-66-33-37-74(38-34-66)102-93-61-57-89(109-93)99(71-27-15-5-16-28-71)85-53-49-81(105-85)96(68-21-9-2-10-22-68)82-50-54-86(106-82)100(72-29-17-6-18-30-72)90-58-62-94(102)110-90/h1-62,103,105,108,110H,63-64H2/b95-79-,95-80-,96-81-,96-82-,97-83-,97-87-,98-84-,98-88-,99-85-,99-89-,100-86-,100-90-,101-91-,101-92-,102-93-,102-94-,112-111+
• InChIKey: GOHJHBMLUSQAPN-BRKQJUSGSA-N
• XLogP: 26.53
• TPSA: 157.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.75
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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 bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene?

The IUPAC name of bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene (CID 101391246) is bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene.

What is the SMILES notation for bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene?

The canonical SMILES for bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(COc4ccc(/N=N/c5ccc(OCc6ccc(-c7c8nc(c(-c9ccccc9)c9ccc([nH]9)c(-c9ccccc9)c9nc(c(-c%10ccccc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)cc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.

What is the InChIKey of bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene?

The InChIKey is GOHJHBMLUSQAPN-BRKQJUSGSA-N. The full InChI is InChI=1S/C102H70N10O2/c1-7-19-67(20-8-1)95-79-47-51-83(103-79)97(69-23-11-3-12-24-69)87-55-59-91(107-87)101(92-60-56-88(108-92)98(70-25-13-4-14-26-70)84-52-48-80(95)104-84)73-35-31-65(32-36-73)63-113-77-43-39-75(40-44-77)111-112-76-41-45-78(46-42-76)114-64-66-33-37-74(38-34-66)102-93-61-57-89(109-93)99(71-27-15-5-16-28-71)85-53-49-81(105-85)96(68-21-9-2-10-22-68)82-50-54-86(106-82)100(72-29-17-6-18-30-72)90-58-62-94(102)110-90/h1-62,103,105,108,110H,63-64H2/b95-79-,95-80-,96-81-,96-82-,97-83-,97-87-,98-84-,98-88-,99-85-,99-89-,100-86-,100-90-,101-91-,101-92-,102-93-,102-94-,112-111+.

What are the key properties of bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene?

bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene has a molecular weight of 1467.75 g/mol, XLogP of 26.53, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene is sourced from PubChem (CID 101391246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).