N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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

C78H56N8S8 — CID 172973164

IUPACN-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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
SMILESCc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4c(C)c5c(c(C)c4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1.Cc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4cc5c(cc4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1
InChIInChI=1S/C40H30N4S4.C38H26N4S4/c1-21-15-17-29(45-21)31-19-27-37(43-41-25-11-7-5-8-12-25)33-24(4)36-34(23(3)35(33)39(27)47-31)38(44-42-26-13-9-6-10-14-26)28-20-32(48-40(28)36)30-18-16-22(2)46-30;1-21-13-15-31(43-21)33-19-29-35(41-39-23-9-5-3-6-10-23)25-18-28-26(17-27(25)37(29)45-33)36(42-40-24-11-7-4-8-12-24)30-20-34(46-38(28)30)32-16-14-22(2)44-32/h5-20,41-42H,1-4H3;3-20,39-40H,1-2H3/b43-37+,44-38+;41-35-,42-36-
InChIKeyOXIMEQBAHYRWEV-USMSHDTLSA-N
MW1361.90 g/mol
LogP23.07
Rot. Bonds12

About N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 172973164) has the molecular formula C78H56N8S8 and a molecular weight of 1361.90 g/mol. Its IUPAC name is N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 CID172973164
Molecular FormulaC78H56N8S8
Molecular Weight1361.90 g/mol
Exact Mass1360.24
IUPAC NameN-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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
SMILESCc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4c(C)c5c(c(C)c4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1.Cc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4cc5c(cc4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1
InChIInChI=1S/C40H30N4S4.C38H26N4S4/c1-21-15-17-29(45-21)31-19-27-37(43-41-25-11-7-5-8-12-25)33-24(4)36-34(23(3)35(33)39(27)47-31)38(44-42-26-13-9-6-10-14-26)28-20-32(48-40(28)36)30-18-16-22(2)46-30;1-21-13-15-31(43-21)33-19-29-35(41-39-23-9-5-3-6-10-23)25-18-28-26(17-27(25)37(29)45-33)36(42-40-24-11-7-4-8-12-24)30-20-34(46-38(28)30)32-16-14-22(2)44-32/h5-20,41-42H,1-4H3;3-20,39-40H,1-2H3/b43-37+,44-38+;41-35-,42-36-
InChIKeyOXIMEQBAHYRWEV-USMSHDTLSA-N
XLogP23.07
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.90
LogP ≤ 523.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 172973164) is N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 Cc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4c(C)c5c(c(C)c4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1.Cc1ccc(-c2cc3/c(=N\Nc4ccccc4)c4cc5c(cc4c3s2)/c(=N/Nc2ccccc2)c2cc(-c3ccc(C)s3)sc25)s1.
What is the InChIKey of N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 OXIMEQBAHYRWEV-USMSHDTLSA-N. The full InChI is InChI=1S/C40H30N4S4.C38H26N4S4/c1-21-15-17-29(45-21)31-19-27-37(43-41-25-11-7-5-8-12-25)33-24(4)36-34(23(3)35(33)39(27)47-31)38(44-42-26-13-9-6-10-14-26)28-20-32(48-40(28)36)30-18-16-22(2)46-30;1-21-13-15-31(43-21)33-19-29-35(41-39-23-9-5-3-6-10-23)25-18-28-26(17-27(25)37(29)45-33)36(42-40-24-11-7-4-8-12-24)30-20-34(46-38(28)30)32-16-14-22(2)44-32/h5-20,41-42H,1-4H3;3-20,39-40H,1-2H3/b43-37+,44-38+;41-35-,42-36-.
What are the key properties of N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 1361.90 g/mol, XLogP of 23.07, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(18Z)-6,15-bis(5-methylthiophen-2-yl)-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)-2,11-dimethyl-6,15-bis(5-methylthiophen-2-yl)-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 172973164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).