5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin

C60H40N4 — CID 54282808

IUPAC5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2c(C3=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc([nH]4)C(c4cccc5ccccc45)=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc3[nH]4)cccc2c1
InChIInChI=1S/C60H40N4/c1-5-21-41-37(13-1)17-9-25-45(41)57-49-29-31-51(61-49)58(46-26-10-18-38-14-2-6-22-42(38)46)53-33-35-55(63-53)60(48-28-12-20-40-16-4-8-24-44(40)48)56-36-34-54(64-56)59(52-32-30-50(57)62-52)47-27-11-19-39-15-3-7-23-43(39)47/h1-36,61-64H
InChIKeyGWVFFGHHUAUFCK-UHFFFAOYSA-N
MW817.01 g/mol
LogP10.91
Rot. Bonds4

About 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 54282808) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID54282808
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2c(C3=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc([nH]4)C(c4cccc5ccccc45)=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc3[nH]4)cccc2c1
InChIInChI=1S/C60H40N4/c1-5-21-41-37(13-1)17-9-25-45(41)57-49-29-31-51(61-49)58(46-26-10-18-38-14-2-6-22-42(38)46)53-33-35-55(63-53)60(48-28-12-20-40-16-4-8-24-44(40)48)56-36-34-54(64-56)59(52-32-30-50(57)62-52)47-27-11-19-39-15-3-7-23-43(39)47/h1-36,61-64H
InChIKeyGWVFFGHHUAUFCK-UHFFFAOYSA-N
XLogP10.91
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 510.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
Tetrakis(o-aminophenyl)porphyrin
CID 135431066
10,20,30,34-Tetrazanonacyclo[31.7.0.03,11.04,9.013,21.014,19.023,31.024,29.035,40]tetraconta-1(33),3(11),4,6,8,13(21),14,16,18,23(31),24,26,28,35,37,39-hexadecaene
CID 70685689
Zinc, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-1)-
CID 6515536
5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin
CID 135404289
5,10,15,20-Tetrakis(3,5-bis(tert-butyl)phenyl)porphyrin
CID 135451950
2,3,5-Triphenyl-1H-pyrrole
CID 247126
Bis(2-phenylindol-3-yl)methane
CID 11003858

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin (CID 54282808) is 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin is c1ccc2c(C3=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc([nH]4)C(c4cccc5ccccc45)=c4ccc([nH]4)=C(c4cccc5ccccc45)c4ccc3[nH]4)cccc2c1.
What is the InChIKey of 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is GWVFFGHHUAUFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-5-21-41-37(13-1)17-9-25-45(41)57-49-29-31-51(61-49)58(46-26-10-18-38-14-2-6-22-42(38)46)53-33-35-55(63-53)60(48-28-12-20-40-16-4-8-24-44(40)48)56-36-34-54(64-56)59(52-32-30-50(57)62-52)47-27-11-19-39-15-3-7-23-43(39)47/h1-36,61-64H.
What are the key properties of 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 817.01 g/mol, XLogP of 10.91, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetranaphthalen-1-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54282808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).