(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin

C68H50N4 — CID 88768309

IUPAC(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin
SMILESC1=C/C2=C/C3(c4ccccc4)NC(c4ccccc4)(C(c4ccccc4)=C3c3ccccc3)C(c3ccccc3)C3(c4ccccc4)N=C(/C=c4/cc/c([nH]4)=C/C1=N2)C(c1ccccc1)=C3c1ccccc1
InChIInChI=1S/C68H50N4/c1-9-25-48(26-10-1)61-60-46-58-42-41-56(69-58)45-57-43-44-59(70-57)47-66(53-35-19-6-20-36-53)63(50-29-13-3-14-30-50)64(51-31-15-4-16-32-51)68(72-66,55-39-23-8-24-40-55)65(52-33-17-5-18-34-52)67(71-60,54-37-21-7-22-38-54)62(61)49-27-11-2-12-28-49/h1-47,65,69,72H/b56-45-,58-46-,59-47-
InChIKeyBRBAAGZPGVPMCS-SZLUODRNSA-N
MW923.18 g/mol
LogP13.23
Rot. Bonds8

About (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin

(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin (PubChem CID 88768309) has the molecular formula C68H50N4 and a molecular weight of 923.18 g/mol. Its IUPAC name is (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin.

Molecular Properties

Compound Name(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin
PubChem CID88768309
Molecular FormulaC68H50N4
Molecular Weight923.18 g/mol
Exact Mass922.40
IUPAC Name(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin
SMILESC1=C/C2=C/C3(c4ccccc4)NC(c4ccccc4)(C(c4ccccc4)=C3c3ccccc3)C(c3ccccc3)C3(c4ccccc4)N=C(/C=c4/cc/c([nH]4)=C/C1=N2)C(c1ccccc1)=C3c1ccccc1
InChIInChI=1S/C68H50N4/c1-9-25-48(26-10-1)61-60-46-58-42-41-56(69-58)45-57-43-44-59(70-57)47-66(53-35-19-6-20-36-53)63(50-29-13-3-14-30-50)64(51-31-15-4-16-32-51)68(72-66,55-39-23-8-24-40-55)65(52-33-17-5-18-34-52)67(71-60,54-37-21-7-22-38-54)62(61)49-27-11-2-12-28-49/h1-47,65,69,72H/b56-45-,58-46-,59-47-
InChIKeyBRBAAGZPGVPMCS-SZLUODRNSA-N
XLogP13.23
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.18
LogP ≤ 513.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin?
The IUPAC name of (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin (CID 88768309) is (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin.
What is the SMILES notation for (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin?
The canonical SMILES for (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin is C1=C/C2=C/C3(c4ccccc4)NC(c4ccccc4)(C(c4ccccc4)=C3c3ccccc3)C(c3ccccc3)C3(c4ccccc4)N=C(/C=c4/cc/c([nH]4)=C/C1=N2)C(c1ccccc1)=C3c1ccccc1.
What is the InChIKey of (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin?
The InChIKey is BRBAAGZPGVPMCS-SZLUODRNSA-N. The full InChI is InChI=1S/C68H50N4/c1-9-25-48(26-10-1)61-60-46-58-42-41-56(69-58)45-57-43-44-59(70-57)47-66(53-35-19-6-20-36-53)63(50-29-13-3-14-30-50)64(51-31-15-4-16-32-51)68(72-66,55-39-23-8-24-40-55)65(52-33-17-5-18-34-52)67(71-60,54-37-21-7-22-38-54)62(61)49-27-11-2-12-28-49/h1-47,65,69,72H/b56-45-,58-46-,59-47-.
What are the key properties of (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin?
(10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin has a molecular weight of 923.18 g/mol, XLogP of 13.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,14Z,19Z)-1,2,3,4,5,6,7,8-octakis-phenyl-21,23-dihydro-5H-porphyrin is sourced from PubChem (CID 88768309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).