tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane

C50H52N4Sn — CID 135873665

IUPACtributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6ccccc6)c6ccc2[nH]6)C=C5)[nH]4)C=C3)c1
InChIInChI=1S/C38H25N4.3C4H9.Sn/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;3*1-3-4-2;/h1-8,10-24,39,42H;3*1,3-4H2,2H3;/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-;;;;
InChIKeyGUFMDHBGPWMOJU-KQPJUTMCSA-N
MW827.71 g/mol
LogP13.71
Rot. Bonds13

About tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane

tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane (PubChem CID 135873665) has the molecular formula C50H52N4Sn and a molecular weight of 827.71 g/mol. Its IUPAC name is tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane
PubChem CID135873665
Molecular FormulaC50H52N4Sn
Molecular Weight827.71 g/mol
Exact Mass828.32
IUPAC Nametributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6ccccc6)c6ccc2[nH]6)C=C5)[nH]4)C=C3)c1
InChIInChI=1S/C38H25N4.3C4H9.Sn/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;3*1-3-4-2;/h1-8,10-24,39,42H;3*1,3-4H2,2H3;/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-;;;;
InChIKeyGUFMDHBGPWMOJU-KQPJUTMCSA-N
XLogP13.71
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.71
LogP ≤ 513.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane with MolForge

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Related Compounds

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
5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
5-[2-[10,20-bis(3-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]ethynyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 71747612
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane?
The IUPAC name of tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane (CID 135873665) is tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane.
What is the SMILES notation for tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane?
The canonical SMILES for tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(-c2c3nc(c(-c4ccccc4)c4ccc(cc5nc(c(-c6ccccc6)c6ccc2[nH]6)C=C5)[nH]4)C=C3)c1.
What is the InChIKey of tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane?
The InChIKey is GUFMDHBGPWMOJU-KQPJUTMCSA-N. The full InChI is InChI=1S/C38H25N4.3C4H9.Sn/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;3*1-3-4-2;/h1-8,10-24,39,42H;3*1,3-4H2,2H3;/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-;;;;.
What are the key properties of tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane?
tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane has a molecular weight of 827.71 g/mol, XLogP of 13.71, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane is sourced from PubChem (CID 135873665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).