N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline

C32H26N4S2 — CID 58224190

IUPACN-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline
SMILESCc1cc2/c(=N\Nc3ccccc3)c3c(C)c4c(c(C)c3c2s1)/c(=N/Nc1ccccc1)c1cc(C)sc14
InChIInChI=1S/C32H26N4S2/c1-17-15-23-29(35-33-21-11-7-5-8-12-21)25-20(4)28-26(19(3)27(25)31(23)37-17)30(24-16-18(2)38-32(24)28)36-34-22-13-9-6-10-14-22/h5-16,33-34H,1-4H3/b35-29+,36-30+
InChIKeyXYJJMXBZGFZKAC-ZRBLUKEISA-N
MW530.72 g/mol
LogP8.39
Rot. Bonds4

About N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline

N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline (PubChem CID 58224190) has the molecular formula C32H26N4S2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline
PubChem CID58224190
Molecular FormulaC32H26N4S2
Molecular Weight530.72 g/mol
Exact Mass530.16
IUPAC NameN-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline
SMILESCc1cc2/c(=N\Nc3ccccc3)c3c(C)c4c(c(C)c3c2s1)/c(=N/Nc1ccccc1)c1cc(C)sc14
InChIInChI=1S/C32H26N4S2/c1-17-15-23-29(35-33-21-11-7-5-8-12-21)25-20(4)28-26(19(3)27(25)31(23)37-17)30(24-16-18(2)38-32(24)28)36-34-22-13-9-6-10-14-22/h5-16,33-34H,1-4H3/b35-29+,36-30+
InChIKeyXYJJMXBZGFZKAC-ZRBLUKEISA-N
XLogP8.39
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline (CID 58224190) is N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline is Cc1cc2/c(=N\Nc3ccccc3)c3c(C)c4c(c(C)c3c2s1)/c(=N/Nc1ccccc1)c1cc(C)sc14.
What is the InChIKey of N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline?
The InChIKey is XYJJMXBZGFZKAC-ZRBLUKEISA-N. The full InChI is InChI=1S/C32H26N4S2/c1-17-15-23-29(35-33-21-11-7-5-8-12-21)25-20(4)28-26(19(3)27(25)31(23)37-17)30(24-16-18(2)38-32(24)28)36-34-22-13-9-6-10-14-22/h5-16,33-34H,1-4H3/b35-29+,36-30+.
What are the key properties of N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline?
N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline has a molecular weight of 530.72 g/mol, XLogP of 8.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(18Z)-2,6,11,15-tetramethyl-18-(phenylhydrazinylidene)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-9-ylidene]amino]aniline is sourced from PubChem (CID 58224190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).