gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H30AuN4 — CID 174635245

IUPACgold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1cc(-c3ccccc3)c([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Au]
InChIInChI=1S/C44H30N4.Au/c1-5-13-29(14-6-1)35-28-34-27-33-21-22-36(45-33)41(30-15-7-2-8-16-30)37-23-24-38(47-37)42(31-17-9-3-10-18-31)39-25-26-40(48-39)43(44(35)46-34)32-19-11-4-12-20-32;/h1-28,46-47H;/b33-27-,34-27-,41-36-,41-37-,42-38-,42-39-,43-40-,44-43-;
InChIKeyYQCUDZNQKFCTSQ-LLHMYSFUSA-N
MW811.72 g/mol
LogP11.32
Rot. Bonds4

About gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin

gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 174635245) has the molecular formula C44H30AuN4 and a molecular weight of 811.72 g/mol. Its IUPAC name is gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Namegold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID174635245
Molecular FormulaC44H30AuN4
Molecular Weight811.72 g/mol
Exact Mass811.21
IUPAC Namegold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1cc(-c3ccccc3)c([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Au]
InChIInChI=1S/C44H30N4.Au/c1-5-13-29(14-6-1)35-28-34-27-33-21-22-36(45-33)41(30-15-7-2-8-16-30)37-23-24-38(47-37)42(31-17-9-3-10-18-31)39-25-26-40(48-39)43(44(35)46-34)32-19-11-4-12-20-32;/h1-28,46-47H;/b33-27-,34-27-,41-36-,41-37-,42-38-,42-39-,43-40-,44-43-;
InChIKeyYQCUDZNQKFCTSQ-LLHMYSFUSA-N
XLogP11.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.72
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
CID 151835088
2-(4-ethynylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin
CID 175496055
3-(15,20-diphenyl-21,23-dihydroporphyrin-2-yl)aniline
CID 152611661
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
7-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)-2,12-diphenyl-21,23-dihydroporphyrin
CID 136693637
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
20-bromo-10,15-dipyridin-4-yl-2-(3-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
CID 137247608
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582

Frequently Asked Questions

What is the IUPAC name of gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 174635245) is gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin is C1=Cc2nc1cc1cc(-c3ccccc3)c([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Au].
What is the InChIKey of gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is YQCUDZNQKFCTSQ-LLHMYSFUSA-N. The full InChI is InChI=1S/C44H30N4.Au/c1-5-13-29(14-6-1)35-28-34-27-33-21-22-36(45-33)41(30-15-7-2-8-16-30)37-23-24-38(47-37)42(31-17-9-3-10-18-31)39-25-26-40(48-39)43(44(35)46-34)32-19-11-4-12-20-32;/h1-28,46-47H;/b33-27-,34-27-,41-36-,41-37-,42-38-,42-39-,43-40-,44-43-;.
What are the key properties of gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 811.72 g/mol, XLogP of 11.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 174635245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).