azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin

C44H42CdN8 — CID 173438210

IUPACazane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin
SMILESC1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.N.N.N.N.[Cd]
InChIInChI=1S/C44H30N4.Cd.4H3N/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;;4*1H3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;;
InChIKeyRPIOGVXDXOYTRL-NGLHPFRESA-N
MW795.29 g/mol
LogP11.76
Rot. Bonds4

About azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin

azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin (PubChem CID 173438210) has the molecular formula C44H42CdN8 and a molecular weight of 795.29 g/mol. Its IUPAC name is azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin.

Molecular Properties

Compound Nameazane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin
PubChem CID173438210
Molecular FormulaC44H42CdN8
Molecular Weight795.29 g/mol
Exact Mass796.26
IUPAC Nameazane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin
SMILESC1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.N.N.N.N.[Cd]
InChIInChI=1S/C44H30N4.Cd.4H3N/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;;4*1H3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;;
InChIKeyRPIOGVXDXOYTRL-NGLHPFRESA-N
XLogP11.76
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.29
LogP ≤ 511.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 173339315
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CID 87932024
rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride
CID 174850329
manganese;phenylboronic acid;10,12,13,23-tetraphenyl-21H-porphyrin
CID 174662731
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CID 87275262
aluminum;10,12,13,23-tetrakis(4-bromophenyl)-21H-porphyrin;trichloride
CID 174745904
(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
CID 175455906
8-bromo-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174692197
3-[2,3,21-tris(3-sulfophenyl)-23H-porphyrin-5-yl]benzenesulfonic acid
CID 175118487
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CID 175252389

Frequently Asked Questions

What is the IUPAC name of azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin?
The IUPAC name of azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin (CID 173438210) is azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin.
What is the SMILES notation for azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin?
The canonical SMILES for azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin is C1=Cc2cc3c(-c4ccccc4)c(-c4ccccc4)c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)n3-c1ccccc1.N.N.N.N.[Cd].
What is the InChIKey of azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin?
The InChIKey is RPIOGVXDXOYTRL-NGLHPFRESA-N. The full InChI is InChI=1S/C44H30N4.Cd.4H3N/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;;4*1H3/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;;;;.
What are the key properties of azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin?
azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin has a molecular weight of 795.29 g/mol, XLogP of 11.76, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin is sourced from PubChem (CID 173438210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).