rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride

C44H30Cl3N4Rh — CID 174850329

IUPACrhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride
SMILESC1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/C44H30N4.3ClH.Rh/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;;;/h1-29,45H;3*1H;/q;;;;+3/p-3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;
InChIKeyUNWLQXFEOUOJJS-ZOZUMXJOSA-K
MW824.02 g/mol
LogP2.13
Rot. Bonds4

About rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride

rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride (PubChem CID 174850329) has the molecular formula C44H30Cl3N4Rh and a molecular weight of 824.02 g/mol. Its IUPAC name is rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride.

Molecular Properties

Compound Namerhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride
PubChem CID174850329
Molecular FormulaC44H30Cl3N4Rh
Molecular Weight824.02 g/mol
Exact Mass822.06
IUPAC Namerhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride
SMILESC1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/C44H30N4.3ClH.Rh/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;;;/h1-29,45H;3*1H;/q;;;;+3/p-3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;
InChIKeyUNWLQXFEOUOJJS-ZOZUMXJOSA-K
XLogP2.13
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500824.02
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

indigane;10,12,13,23-tetraphenyl-21H-porphyrin
CID 173339315
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CID 87932024
azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin
CID 173438210
manganese;phenylboronic acid;10,12,13,23-tetraphenyl-21H-porphyrin
CID 174662731
alumane;3-prop-2-enoxyprop-1-ene;10,12,13,23-tetraphenyl-21H-porphyrin
CID 174724155
aluminum;10,12,13,23-tetrakis(4-bromophenyl)-21H-porphyrin;trichloride
CID 174745904
3-[2,3,21-tris(3-sulfophenyl)-23H-porphyrin-5-yl]benzenesulfonic acid
CID 175118487
quinoline;10,12,13,23-tetrakis(4-chlorophenyl)-21H-porphyrin
CID 175380370
(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
CID 175455906
iron;10,12,13,23-tetrakis(4-ethynylphenyl)-21H-porphyrin
CID 87275262
8-bromo-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174692197
8-(4-bromophenyl)-10,12,13,23-tetraphenyl-21H-porphyrin
CID 175252389

Frequently Asked Questions

What is the IUPAC name of rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride?
The IUPAC name of rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride (CID 174850329) is rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride.
What is the SMILES notation for rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride?
The canonical SMILES for rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride is C1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.[Cl-].[Cl-].[Cl-].[Rh+3].
What is the InChIKey of rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride?
The InChIKey is UNWLQXFEOUOJJS-ZOZUMXJOSA-K. The full InChI is InChI=1S/C44H30N4.3ClH.Rh/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;;;/h1-29,45H;3*1H;/q;;;;+3/p-3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;.
What are the key properties of rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride?
rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride has a molecular weight of 824.02 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride is sourced from PubChem (CID 174850329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).