5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin

C50H32N4 — CID 136749947

IUPAC5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc([nH]1)c(-c1ccc3ccccc3c1)c1nc(c(-c3ccc4ccccc4c3)c3ccc([nH]3)c2-c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C50H32N4/c1-4-10-34-27-37(16-13-31(34)7-1)48-42-21-19-40(51-42)30-41-20-22-43(52-41)49(38-17-14-32-8-2-5-11-35(32)28-38)45-24-26-47(54-45)50(46-25-23-44(48)53-46)39-18-15-33-9-3-6-12-36(33)29-39/h1-30,51,54H/b40-30-,41-30-,48-42-,48-44-,49-43-,49-45-,50-46-,50-47-
InChIKeyNLCPKVHPSRZHFA-UGEFUXDSSA-N
MW688.83 g/mol
LogP13.12
Rot. Bonds3

About 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin

5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin (PubChem CID 136749947) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
PubChem CID136749947
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc([nH]1)c(-c1ccc3ccccc3c1)c1nc(c(-c3ccc4ccccc4c3)c3ccc([nH]3)c2-c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C50H32N4/c1-4-10-34-27-37(16-13-31(34)7-1)48-42-21-19-40(51-42)30-41-20-22-43(52-41)49(38-17-14-32-8-2-5-11-35(32)28-38)45-24-26-47(54-45)50(46-25-23-44(48)53-46)39-18-15-33-9-3-6-12-36(33)29-39/h1-30,51,54H/b40-30-,41-30-,48-42-,48-44-,49-43-,49-45-,50-46-,50-47-
InChIKeyNLCPKVHPSRZHFA-UGEFUXDSSA-N
XLogP13.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
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
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
5-[10,20-bis(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]-10,20-bis(2-phenylethynyl)-15-[4-[10,15,20-tris(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102356047
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
5,15-bis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136798646

Frequently Asked Questions

What is the IUPAC name of 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin (CID 136749947) is 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin is C1=Cc2nc1cc1ccc([nH]1)c(-c1ccc3ccccc3c1)c1nc(c(-c3ccc4ccccc4c3)c3ccc([nH]3)c2-c2ccc3ccccc3c2)C=C1.
What is the InChIKey of 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin?
The InChIKey is NLCPKVHPSRZHFA-UGEFUXDSSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-10-34-27-37(16-13-31(34)7-1)48-42-21-19-40(51-42)30-41-20-22-43(52-41)49(38-17-14-32-8-2-5-11-35(32)28-38)45-24-26-47(54-45)50(46-25-23-44(48)53-46)39-18-15-33-9-3-6-12-36(33)29-39/h1-30,51,54H/b40-30-,41-30-,48-42-,48-44-,49-43-,49-45-,50-46-,50-47-.
What are the key properties of 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin?
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin has a molecular weight of 688.83 g/mol, XLogP of 13.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 136749947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).