6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene

C44H24Cl4N4 — CID 135710919

IUPAC6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4ccc([nH]4)c4c5nc2C=C5c2cc(Cl)ccc2-4)C=C3)cc1
InChIInChI=1S/C44H24Cl4N4/c45-26-7-1-23(2-8-26)40-33-15-16-34(49-33)41(24-3-9-27(46)10-4-24)36-19-20-38(51-36)43-30-14-13-29(48)21-31(30)32-22-39(52-44(32)43)42(37-18-17-35(40)50-37)25-5-11-28(47)12-6-25/h1-22,49,51H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-
InChIKeyVGRXYECACWBBNQ-FJTIKLBISA-N
MW750.52 g/mol
LogP13.67
Rot. Bonds3

About 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene

6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene (PubChem CID 135710919) has the molecular formula C44H24Cl4N4 and a molecular weight of 750.52 g/mol. Its IUPAC name is 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene.

Molecular Properties

Compound Name6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene
PubChem CID135710919
Molecular FormulaC44H24Cl4N4
Molecular Weight750.52 g/mol
Exact Mass748.08
IUPAC Name6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4ccc([nH]4)c4c5nc2C=C5c2cc(Cl)ccc2-4)C=C3)cc1
InChIInChI=1S/C44H24Cl4N4/c45-26-7-1-23(2-8-26)40-33-15-16-34(49-33)41(24-3-9-27(46)10-4-24)36-19-20-38(51-36)43-30-14-13-29(48)21-31(30)32-22-39(52-44(32)43)42(37-18-17-35(40)50-37)25-5-11-28(47)12-6-25/h1-22,49,51H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-
InChIKeyVGRXYECACWBBNQ-FJTIKLBISA-N
XLogP13.67
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.52
LogP ≤ 513.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene with MolForge

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Related Compounds

6-methyl-13,18,23-triphenyl-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 136819212
5,10,15,20-tetrakis(4-chlorophenyl)-12-nitro-21,22-dihydroporphyrin
CID 135855104
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569
copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175008074
5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
CID 175086452
5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine
CID 135855105
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
CID 135909496
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135546579
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene?
The IUPAC name of 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene (CID 135710919) is 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene.
What is the SMILES notation for 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene?
The canonical SMILES for 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene is Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4ccc([nH]4)c4c5nc2C=C5c2cc(Cl)ccc2-4)C=C3)cc1.
What is the InChIKey of 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene?
The InChIKey is VGRXYECACWBBNQ-FJTIKLBISA-N. The full InChI is InChI=1S/C44H24Cl4N4/c45-26-7-1-23(2-8-26)40-33-15-16-34(49-33)41(24-3-9-27(46)10-4-24)36-19-20-38(51-36)43-30-14-13-29(48)21-31(30)32-22-39(52-44(32)43)42(37-18-17-35(40)50-37)25-5-11-28(47)12-6-25/h1-22,49,51H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-.
What are the key properties of 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene?
6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene has a molecular weight of 750.52 g/mol, XLogP of 13.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-13,18,23-tris(4-chlorophenyl)-11,27,28,29-tetrazaheptacyclo[22.2.1.19,12.114,17.119,22.02,10.03,8]triaconta-1,3(8),4,6,9(30),10,12,14(29),15,17,19,21,23,25-tetradecaene is sourced from PubChem (CID 135710919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).