5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin

C60H40N4 — CID 91249465

IUPAC5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2cc(C3=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc([nH]4)C(c4ccc5ccccc5c4)=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc3[nH]4)ccc2c1
InChIInChI=1S/C60H40N4/c1-5-13-41-33-45(21-17-37(41)9-1)57-49-25-27-51(61-49)58(46-22-18-38-10-2-6-14-42(38)34-46)53-29-31-55(63-53)60(48-24-20-40-12-4-8-16-44(40)36-48)56-32-30-54(64-56)59(52-28-26-50(57)62-52)47-23-19-39-11-3-7-15-43(39)35-47/h1-36,61-64H
InChIKeyIHKSTRJFXIZHQT-UHFFFAOYSA-N
MW817.01 g/mol
LogP10.91
Rot. Bonds4

About 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 91249465) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID91249465
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc2cc(C3=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc([nH]4)C(c4ccc5ccccc5c4)=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc3[nH]4)ccc2c1
InChIInChI=1S/C60H40N4/c1-5-13-41-33-45(21-17-37(41)9-1)57-49-25-27-51(61-49)58(46-22-18-38-10-2-6-14-42(38)34-46)53-29-31-55(63-53)60(48-24-20-40-12-4-8-16-44(40)36-48)56-32-30-54(64-56)59(52-28-26-50(57)62-52)47-23-19-39-11-3-7-15-43(39)35-47/h1-36,61-64H
InChIKeyIHKSTRJFXIZHQT-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

2-(2-Naphthyl)indole
CID 265232
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
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
Tetrabenzoporphine
CID 135437216
{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(5,6,7,8-tetrahydro-naphthalen-2-yl)-butyl]-amine
CID 44267270
[29-(Aminomethyl)-13,15,28,30,31,33-hexaethyl-3,10,18,25,32,34-hexazapentacyclo[25.3.1.15,8.112,16.120,23]tetratriaconta-1(31),5,7,12(33),13,15,20,22,27,29-decaen-14-yl]methanamine
CID 156012727
2-[2-(Naphth-2-yl)-1 h-indol-3-yl]-2-phenylacetonitrile
CID 118017440
meso-Tetra(3-methylphenyl) porphine
CID 135440475
Dispiro[cyclohexane-1,6'(5'H)-indolo[3,2-b]carbazole-12'(11'H),1''-cyclohexane]
CID 373633
3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 3116331
2-[10,15,20-Tris(4-methylphenyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]aniline
CID 44393343

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin (CID 91249465) is 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin is c1ccc2cc(C3=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc([nH]4)C(c4ccc5ccccc5c4)=c4ccc([nH]4)=C(c4ccc5ccccc5c4)c4ccc3[nH]4)ccc2c1.
What is the InChIKey of 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is IHKSTRJFXIZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-5-13-41-33-45(21-17-37(41)9-1)57-49-25-27-51(61-49)58(46-22-18-38-10-2-6-14-42(38)34-46)53-29-31-55(63-53)60(48-24-20-40-12-4-8-16-44(40)36-48)56-32-30-54(64-56)59(52-28-26-50(57)62-52)47-23-19-39-11-3-7-15-43(39)35-47/h1-36,61-64H.
What are the key properties of 5,10,15,20-tetranaphthalen-2-yl-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetranaphthalen-2-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-2-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91249465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).