(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin

C44H32N4 — CID 118729008

IUPAC(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
SMILESC1=CC2N=C1/C(c1ccccc1)=C1/C=CC(N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,39,45-46H/b41-34-,42-35-,43-36-,44-40-
InChIKeyRMDCWYPQDLLEDR-HCVUDOQSSA-N
MW616.77 g/mol
LogP7.17
Rot. Bonds4

About (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin

(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin (PubChem CID 118729008) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
PubChem CID118729008
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
SMILESC1=CC2N=C1/C(c1ccccc1)=C1/C=CC(N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,39,45-46H/b41-34-,42-35-,43-36-,44-40-
InChIKeyRMDCWYPQDLLEDR-HCVUDOQSSA-N
XLogP7.17
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin?
The IUPAC name of (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin (CID 118729008) is (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin.
What is the SMILES notation for (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin?
The canonical SMILES for (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin is C1=CC2N=C1/C(c1ccccc1)=C1/C=CC(N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)C1=N/C(=C\2c2ccccc2)C=C1.
What is the InChIKey of (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin?
The InChIKey is RMDCWYPQDLLEDR-HCVUDOQSSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,39,45-46H/b41-34-,42-35-,43-36-,44-40-.
What are the key properties of (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin?
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin has a molecular weight of 616.77 g/mol, XLogP of 7.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin is sourced from PubChem (CID 118729008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).