(1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin

C51H32F12N4 — CID 102296630

About (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin

(1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin (PubChem CID 102296630) has the molecular formula C51H32F12N4 and a molecular weight of 928.82 g/mol. Its IUPAC name is (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin.

Molecular Properties

• Compound Name: (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin
• PubChem CID: 102296630
• Molecular Formula: C51H32F12N4
• Molecular Weight: 928.82 g/mol
• Exact Mass: 928.24
• IUPAC Name: (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin
• SMILES: C=CCn1c2c(C(F)(F)F)c(C(F)(F)F)c1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1[nH]c(c(C(F)(F)F)c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
• InChI: InChI=1S/C51H32F12N4/c1-2-27-67-46-38(30-19-11-5-12-20-30)34-25-23-32(64-34)36(28-15-7-3-8-16-28)44-40(48(52,53)54)41(49(55,56)57)45(66-44)37(29-17-9-4-10-18-29)33-24-26-35(65-33)39(31-21-13-6-14-22-31)47(67)43(51(61,62)63)42(46)50(58,59)60/h2-26,64-66H,1,27H2/b36-32-,37-33-,38-34-,39-35-,44-36-,45-37-,46-38-,47-39-
• InChIKey: JFIQKDFANQBCHL-LOKHDCSBSA-N
• XLogP: 11.04
• TPSA: 52.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.82
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin?

The IUPAC name of (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin (CID 102296630) is (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin.

What is the SMILES notation for (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin?

The canonical SMILES for (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin is C=CCn1c2c(C(F)(F)F)c(C(F)(F)F)c1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1[nH]c(c(C(F)(F)F)c1C(F)(F)F)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1.

What is the InChIKey of (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin?

The InChIKey is JFIQKDFANQBCHL-LOKHDCSBSA-N. The full InChI is InChI=1S/C51H32F12N4/c1-2-27-67-46-38(30-19-11-5-12-20-30)34-25-23-32(64-34)36(28-15-7-3-8-16-28)44-40(48(52,53)54)41(49(55,56)57)45(66-44)37(29-17-9-4-10-18-29)33-24-26-35(65-33)39(31-21-13-6-14-22-31)47(67)43(51(61,62)63)42(46)50(58,59)60/h2-26,64-66H,1,27H2/b36-32-,37-33-,38-34-,39-35-,44-36-,45-37-,46-38-,47-39-.

What are the key properties of (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin?

(1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin has a molecular weight of 928.82 g/mol, XLogP of 11.04, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,4Z,10Z,14Z)-5,10,15,20-tetraphenyl-24-prop-2-enyl-7,8,17,18-tetrakis(trifluoromethyl)-22,23-dihydro-21H-porphyrin is sourced from PubChem (CID 102296630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).