(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin

C56H72N4 — CID 10653167

IUPAC(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin
SMILESCCCCC1C2=NC(=C(c3ccccc3)c3[nH]c(c(CC)c3CC)C(CCCC)c3[nH]c(c(CC)c3CC)/C(c3ccccc3)=C3\N=C1C(CC)=C3CC)C(CC)=C2CC
InChIInChI=1S/C56H72N4/c1-11-21-33-45-49-37(13-3)41(17-7)53(57-49)47(35-29-25-23-26-30-35)55-43(19-9)39(15-5)51(59-55)46(34-22-12-2)52-40(16-6)44(20-10)56(60-52)48(36-31-27-24-28-32-36)54-42(18-8)38(14-4)50(45)58-54/h23-32,45-46,57-58H,11-22,33-34H2,1-10H3/b55-47-,56-48?
InChIKeyYROMHUFZXAIOMQ-BUMBUCKESA-N
MW801.22 g/mol
LogP15.40
Rot. Bonds16

About (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin

(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin (PubChem CID 10653167) has the molecular formula C56H72N4 and a molecular weight of 801.22 g/mol. Its IUPAC name is (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin.

Molecular Properties

Compound Name(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin
PubChem CID10653167
Molecular FormulaC56H72N4
Molecular Weight801.22 g/mol
Exact Mass800.58
IUPAC Name(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin
SMILESCCCCC1C2=NC(=C(c3ccccc3)c3[nH]c(c(CC)c3CC)C(CCCC)c3[nH]c(c(CC)c3CC)/C(c3ccccc3)=C3\N=C1C(CC)=C3CC)C(CC)=C2CC
InChIInChI=1S/C56H72N4/c1-11-21-33-45-49-37(13-3)41(17-7)53(57-49)47(35-29-25-23-26-30-35)55-43(19-9)39(15-5)51(59-55)46(34-22-12-2)52-40(16-6)44(20-10)56(60-52)48(36-31-27-24-28-32-36)54-42(18-8)38(14-4)50(45)58-54/h23-32,45-46,57-58H,11-22,33-34H2,1-10H3/b55-47-,56-48?
InChIKeyYROMHUFZXAIOMQ-BUMBUCKESA-N
XLogP15.40
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.22
LogP ≤ 515.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin with MolForge

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Related Compounds

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(Z)-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23H-porphyrin-5-ylidene)methanol
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CID 19899703

Frequently Asked Questions

What is the IUPAC name of (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin?
The IUPAC name of (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin (CID 10653167) is (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin.
What is the SMILES notation for (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin?
The canonical SMILES for (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin is CCCCC1C2=NC(=C(c3ccccc3)c3[nH]c(c(CC)c3CC)C(CCCC)c3[nH]c(c(CC)c3CC)/C(c3ccccc3)=C3\N=C1C(CC)=C3CC)C(CC)=C2CC.
What is the InChIKey of (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin?
The InChIKey is YROMHUFZXAIOMQ-BUMBUCKESA-N. The full InChI is InChI=1S/C56H72N4/c1-11-21-33-45-49-37(13-3)41(17-7)53(57-49)47(35-29-25-23-26-30-35)55-43(19-9)39(15-5)51(59-55)46(34-22-12-2)52-40(16-6)44(20-10)56(60-52)48(36-31-27-24-28-32-36)54-42(18-8)38(14-4)50(45)58-54/h23-32,45-46,57-58H,11-22,33-34H2,1-10H3/b55-47-,56-48?.
What are the key properties of (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin?
(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin has a molecular weight of 801.22 g/mol, XLogP of 15.40, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin is sourced from PubChem (CID 10653167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).