(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol

C32H35N3O — CID 135746139

IUPAC(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol
SMILESCCC1=C(C)/C2=C/C3=C/C(=C/O)C(=C3)/C=C3\N=C(/C=c4\[nH]/c(c(CC)c4CC)=C\C1=N2)C(CC)=C3C
InChIInChI=1S/C32H35N3O/c1-7-23-18(5)27-13-20-11-21(22(12-20)17-36)14-28-19(6)24(8-2)30(34-28)16-32-26(10-4)25(9-3)31(35-32)15-29(23)33-27/h11-17,35-36H,7-10H2,1-6H3/b22-17-,27-13-,28-14-,31-15-,32-16-
InChIKeyOFUSZCUXMHEGGI-MUDGIYOCSA-N
MW477.65 g/mol
LogP6.15
Rot. Bonds4

About (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol

(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol (PubChem CID 135746139) has the molecular formula C32H35N3O and a molecular weight of 477.65 g/mol. Its IUPAC name is (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol.

Molecular Properties

Compound Name(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol
PubChem CID135746139
Molecular FormulaC32H35N3O
Molecular Weight477.65 g/mol
Exact Mass477.28
IUPAC Name(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol
SMILESCCC1=C(C)/C2=C/C3=C/C(=C/O)C(=C3)/C=C3\N=C(/C=c4\[nH]/c(c(CC)c4CC)=C\C1=N2)C(CC)=C3C
InChIInChI=1S/C32H35N3O/c1-7-23-18(5)27-13-20-11-21(22(12-20)17-36)14-28-19(6)24(8-2)30(34-28)16-32-26(10-4)25(9-3)31(35-32)15-29(23)33-27/h11-17,35-36H,7-10H2,1-6H3/b22-17-,27-13-,28-14-,31-15-,32-16-
InChIKeyOFUSZCUXMHEGGI-MUDGIYOCSA-N
XLogP6.15
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol with MolForge

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Related Compounds

2,7,8,12,13,17,18-heptaethyl-3-methyl-1,23-dihydroporphyrin
CID 161120870
methyl 3-[8,13-diethyl-20-(hydroxymethylidene)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22H-porphyrin-2-yl]propanoate
CID 135405154
5,9-diethyl-14,16,20,22-tetramethoxy-4,10-dimethyl-25,26-diazapentacyclo[17.3.1.13,6.18,11.113,17]hexacosa-1(23),2,4,6,8(25),9,11,13(24),14,16,19,21-dodecaen-18-one;2,2,2-trifluoroacetic acid
CID 72701065
methyl 3-[(8Z)-12-ethyl-8-(1-hydroxyethylidene)-18-(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-22H-porphyrin-2-yl]propanoate
CID 135884387
2,18-bis(3-bromopropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin
CID 67673633
(Z)-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23H-porphyrin-5-ylidene)methanol
CID 146034824
methyl 3-[(8Z)-13-ethyl-8-(1-hydroxyethylidene)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22H-porphyrin-2-yl]propanoate
CID 135547564
(1Z,9Z)-15-tert-butyl-3,7,12,18-tetraethyl-15-hydroxy-2,8,13,17-tetramethyl-23,24-dihydroporphyrin-5-one
CID 177445940
3-(2,3,7,8,12,13,17,18-octaethyl-23H-porphyrin-5-ylidene)prop-1-en-1-ol
CID 135539177
(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
CID 162179968
(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
CID 177476952
platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin
CID 143829005

Frequently Asked Questions

What is the IUPAC name of (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol?
The IUPAC name of (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol (CID 135746139) is (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol.
What is the SMILES notation for (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol?
The canonical SMILES for (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol is CCC1=C(C)/C2=C/C3=C/C(=C/O)C(=C3)/C=C3\N=C(/C=c4\[nH]/c(c(CC)c4CC)=C\C1=N2)C(CC)=C3C.
What is the InChIKey of (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol?
The InChIKey is OFUSZCUXMHEGGI-MUDGIYOCSA-N. The full InChI is InChI=1S/C32H35N3O/c1-7-23-18(5)27-13-20-11-21(22(12-20)17-36)14-28-19(6)24(8-2)30(34-28)16-32-26(10-4)25(9-3)31(35-32)15-29(23)33-27/h11-17,35-36H,7-10H2,1-6H3/b22-17-,27-13-,28-14-,31-15-,32-16-.
What are the key properties of (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol?
(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol has a molecular weight of 477.65 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol is sourced from PubChem (CID 135746139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).