ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin

C52H56N4 — CID 91398417

IUPACethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
SMILESC1=CC2=C(c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2.CC.CC.CC.CC
InChIInChI=1S/C44H32N4.4C2H6/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;4*1-2/h1-27,40,45,48H,28H2;4*1-2H3/b41-33-,42-35-,43-36?,44-39-;;;;
InChIKeyJCDQFTDQJKBPSI-KSADRMCOSA-N
MW737.05 g/mol
LogP11.62
Rot. Bonds4

About ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin

ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin (PubChem CID 91398417) has the molecular formula C52H56N4 and a molecular weight of 737.05 g/mol. Its IUPAC name is ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Nameethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
PubChem CID91398417
Molecular FormulaC52H56N4
Molecular Weight737.05 g/mol
Exact Mass736.45
IUPAC Nameethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
SMILESC1=CC2=C(c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2.CC.CC.CC.CC
InChIInChI=1S/C44H32N4.4C2H6/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;4*1-2/h1-27,40,45,48H,28H2;4*1-2H3/b41-33-,42-35-,43-36?,44-39-;;;;
InChIKeyJCDQFTDQJKBPSI-KSADRMCOSA-N
XLogP11.62
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.05
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
CID 118729009
(5Z,9Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,4,21,22-tetrahydroporphyrin
CID 136135835
(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-chlorophenyl)-1,9,21,24-tetrahydroporphyrin
CID 118729010
(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-bromophenyl)-1,9,21,24-tetrahydroporphyrin
CID 118729011
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 118729008
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
Dihydrotetrabenzporphin
CID 87483055
5,10,15,20-Tetrakis(2,3,4,5,6-pentafluorophenyl)-2-phenyl-1,2,3,23-tetrahydroporphyrin
CID 137065851
21,22,23,24-Tetramethanidyl-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-2,3,22,24-tetrahydroporphyrin-21,22,23,24-tetraium
CID 172149599
(5,10,15,20-Tetraphenylporphyrin cation-radical)(oxo)iron(IV)
CID 60182260
Tetra-phenyltetrahydroporphin
CID 77520081
5,10,15,20-Tetraphenyl-21,23-dihydroporphyrin-21,22-diium
CID 101399206

Frequently Asked Questions

What is the IUPAC name of ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The IUPAC name of ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin (CID 91398417) is ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin.
What is the SMILES notation for ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The canonical SMILES for ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin is C1=CC2=C(c3ccccc3)C3=CCC(N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccccc3)C1=N2.CC.CC.CC.CC.
What is the InChIKey of ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
The InChIKey is JCDQFTDQJKBPSI-KSADRMCOSA-N. The full InChI is InChI=1S/C44H32N4.4C2H6/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;4*1-2/h1-27,40,45,48H,28H2;4*1-2H3/b41-33-,42-35-,43-36?,44-39-;;;;.
What are the key properties of ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin?
ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin has a molecular weight of 737.05 g/mol, XLogP of 11.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin is sourced from PubChem (CID 91398417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).