gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin

C44H33GaN4 — CID 173010365

IUPACgallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccc1)c3-c1ccccc1.[GaH3]
InChIInChI=1S/C44H30N4.Ga.3H/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;;;/h1-28,45,48H;;;;/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28-,43-42-,44-42-;;;;
InChIKeyBHRRJLIMIYXXGN-UGECTPNSSA-N
MW687.50 g/mol
LogP9.89
Rot. Bonds4

About gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin

gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 173010365) has the molecular formula C44H33GaN4 and a molecular weight of 687.50 g/mol. Its IUPAC name is gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Namegallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
PubChem CID173010365
Molecular FormulaC44H33GaN4
Molecular Weight687.50 g/mol
Exact Mass686.20
IUPAC Namegallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccc1)c3-c1ccccc1.[GaH3]
InChIInChI=1S/C44H30N4.Ga.3H/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;;;/h1-28,45,48H;;;;/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28-,43-42-,44-42-;;;;
InChIKeyBHRRJLIMIYXXGN-UGECTPNSSA-N
XLogP9.89
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.50
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin (CID 173010365) is gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin is C1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccc1)c3-c1ccccc1.[GaH3].
What is the InChIKey of gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is BHRRJLIMIYXXGN-UGECTPNSSA-N. The full InChI is InChI=1S/C44H30N4.Ga.3H/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;;;/h1-28,45,48H;;;;/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28-,43-42-,44-42-;;;;.
What are the key properties of gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin?
gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 687.50 g/mol, XLogP of 9.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 173010365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).