(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine

C41H29N3 — CID 162733325

IUPAC(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine
SMILESN/N=C(/c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cccc3c1c1c2cc2ccccc2c1n3C1=CCCC=C1
InChIInChI=1S/C41H29N3/c42-43-40(26-12-3-1-4-13-26)34-19-10-9-17-30(34)28-22-23-32-35(24-28)33-20-11-21-37-38(33)39-36(32)25-27-14-7-8-18-31(27)41(39)44(37)29-15-5-2-6-16-29/h1,3-5,7-25H,2,6,42H2/b43-40-
InChIKeyWCISHPMRGSHJRF-SATDTQGDSA-N
MW563.70 g/mol
LogP10.26
Rot. Bonds4

About (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine

(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine (PubChem CID 162733325) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine.

Molecular Properties

Compound Name(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine
PubChem CID162733325
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine
SMILESN/N=C(/c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cccc3c1c1c2cc2ccccc2c1n3C1=CCCC=C1
InChIInChI=1S/C41H29N3/c42-43-40(26-12-3-1-4-13-26)34-19-10-9-17-30(34)28-22-23-32-35(24-28)33-20-11-21-37-38(33)39-36(32)25-27-14-7-8-18-31(27)41(39)44(37)29-15-5-2-6-16-29/h1,3-5,7-25H,2,6,42H2/b43-40-
InChIKeyWCISHPMRGSHJRF-SATDTQGDSA-N
XLogP10.26
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine with MolForge

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Related Compounds

2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)-N-(2-methylphenyl)-1-phenylpentan-1-imine
CID 162733530
9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280626
16-cyclohexa-1,5-dien-1-yl-20-dibenzothiophen-4-yl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 145347742
23-phenyl-13-(3-phenylquinoxalin-2-yl)-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaene
CID 171044309
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
CID 145347622
9-cyclohexa-1,5-dien-1-yl-3-(4-fluoranthen-3-ylquinazolin-2-yl)carbazole
CID 66635726
23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171044311
23-[4-(2-phenylphenyl)quinazolin-2-yl]-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171044298
5-(21-cyclohexa-1,5-dien-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145370657
N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
CID 88951489
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458

Frequently Asked Questions

What is the IUPAC name of (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine?
The IUPAC name of (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine (CID 162733325) is (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine.
What is the SMILES notation for (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine?
The canonical SMILES for (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine is N/N=C(/c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cccc3c1c1c2cc2ccccc2c1n3C1=CCCC=C1.
What is the InChIKey of (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine?
The InChIKey is WCISHPMRGSHJRF-SATDTQGDSA-N. The full InChI is InChI=1S/C41H29N3/c42-43-40(26-12-3-1-4-13-26)34-19-10-9-17-30(34)28-22-23-32-35(24-28)33-20-11-21-37-38(33)39-36(32)25-27-14-7-8-18-31(27)41(39)44(37)29-15-5-2-6-16-29/h1,3-5,7-25H,2,6,42H2/b43-40-.
What are the key properties of (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine?
(Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine has a molecular weight of 563.70 g/mol, XLogP of 10.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[[2-(23-cyclohexa-1,5-dien-1-yl-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaen-13-yl)phenyl]-phenylmethylidene]hydrazine is sourced from PubChem (CID 162733325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).