5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine

C64H58N6O4 — CID 91152818

IUPAC5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C64H58N6O4/c1-71-49-23-15-43(16-24-49)39-69(40-44-17-25-50(72-2)26-18-44)63-57-35-31-53(65-57)61(47-11-7-5-8-12-47)55-33-37-59(67-55)64(60-38-34-56(68-60)62(48-13-9-6-10-14-48)54-32-36-58(63)66-54)70(41-45-19-27-51(73-3)28-20-45)42-46-21-29-52(74-4)30-22-46/h5-38,65-68H,39-42H2,1-4H3
InChIKeyHPIFMRGAKVBAFJ-UHFFFAOYSA-N
MW975.21 g/mol
LogP9.56
Rot. Bonds16

About 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine

5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine (PubChem CID 91152818) has the molecular formula C64H58N6O4 and a molecular weight of 975.21 g/mol. Its IUPAC name is 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine.

Molecular Properties

Compound Name5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine
PubChem CID91152818
Molecular FormulaC64H58N6O4
Molecular Weight975.21 g/mol
Exact Mass974.45
IUPAC Name5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C64H58N6O4/c1-71-49-23-15-43(16-24-49)39-69(40-44-17-25-50(72-2)26-18-44)63-57-35-31-53(65-57)61(47-11-7-5-8-12-47)55-33-37-59(67-55)64(60-38-34-56(68-60)62(48-13-9-6-10-14-48)54-32-36-58(63)66-54)70(41-45-19-27-51(73-3)28-20-45)42-46-21-29-52(74-4)30-22-46/h5-38,65-68H,39-42H2,1-4H3
InChIKeyHPIFMRGAKVBAFJ-UHFFFAOYSA-N
XLogP9.56
TPSA106.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.21
LogP ≤ 59.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine with MolForge

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Related Compounds

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CID 134791729
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CID 138519701
3-[benzyl(ethyl)amino]-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558909
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
4-[10-[4-(3-aminopropoxy)phenyl]-15-(4-cyanophenyl)-20-(4-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzonitrile
CID 123617430
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
CID 123343562
2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 90768996

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine?
The IUPAC name of 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine (CID 91152818) is 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine.
What is the SMILES notation for 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine?
The canonical SMILES for 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine is COc1ccc(CN(Cc2ccc(OC)cc2)C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine?
The InChIKey is HPIFMRGAKVBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N6O4/c1-71-49-23-15-43(16-24-49)39-69(40-44-17-25-50(72-2)26-18-44)63-57-35-31-53(65-57)61(47-11-7-5-8-12-47)55-33-37-59(67-55)64(60-38-34-56(68-60)62(48-13-9-6-10-14-48)54-32-36-58(63)66-54)70(41-45-19-27-51(73-3)28-20-45)42-46-21-29-52(74-4)30-22-46/h5-38,65-68H,39-42H2,1-4H3.
What are the key properties of 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine?
5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine has a molecular weight of 975.21 g/mol, XLogP of 9.56, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,15-N,15-N-tetrakis[(4-methoxyphenyl)methyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5,15-diamine is sourced from PubChem (CID 91152818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).