ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane

C71H80N6S — CID 144661744

IUPACethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane
SMILESC/C=C\C(C)=C/C.C=C.C=C/C=c1\c(=C/C)sc2c1ccc1c3cc4c(ccn4-c4ccccc4)cc3n(C)c12.C=N/C(=N\C(=N/Cc1cccc(-c2ccccc2)c1)c1ccccc1)c1ccccc1.CC.CCC.CN
InChIInChI=1S/C28H23N3.C28H22N2S.C7H12.C3H8.C2H6.C2H4.CH5N/c1-29-27(24-15-7-3-8-16-24)31-28(25-17-9-4-10-18-25)30-21-22-12-11-19-26(20-22)23-13-5-2-6-14-23;1-4-9-20-22-13-12-21-23-17-24-18(14-15-30(24)19-10-7-6-8-11-19)16-25(23)29(3)27(21)28(22)31-26(20)5-2;1-4-6-7(3)5-2;1-3-2;3*1-2/h2-20H,1,21H2;4-17H,1H2,2-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;2H2,1H3/b30-28-,31-27-;20-9-,26-5+;6-4-,7-5-;;;;
InChIKeyRVHXNESBPKMSGN-LFZMJJARSA-N
MW1049.53 g/mol
LogP18.05
Rot. Bonds8

About ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane

ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane (PubChem CID 144661744) has the molecular formula C71H80N6S and a molecular weight of 1049.53 g/mol. Its IUPAC name is ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane.

Molecular Properties

Compound Nameethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane
PubChem CID144661744
Molecular FormulaC71H80N6S
Molecular Weight1049.53 g/mol
Exact Mass1048.62
IUPAC Nameethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane
SMILESC/C=C\C(C)=C/C.C=C.C=C/C=c1\c(=C/C)sc2c1ccc1c3cc4c(ccn4-c4ccccc4)cc3n(C)c12.C=N/C(=N\C(=N/Cc1cccc(-c2ccccc2)c1)c1ccccc1)c1ccccc1.CC.CCC.CN
InChIInChI=1S/C28H23N3.C28H22N2S.C7H12.C3H8.C2H6.C2H4.CH5N/c1-29-27(24-15-7-3-8-16-24)31-28(25-17-9-4-10-18-25)30-21-22-12-11-19-26(20-22)23-13-5-2-6-14-23;1-4-9-20-22-13-12-21-23-17-24-18(14-15-30(24)19-10-7-6-8-11-19)16-25(23)29(3)27(21)28(22)31-26(20)5-2;1-4-6-7(3)5-2;1-3-2;3*1-2/h2-20H,1,21H2;4-17H,1H2,2-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;2H2,1H3/b30-28-,31-27-;20-9-,26-5+;6-4-,7-5-;;;;
InChIKeyRVHXNESBPKMSGN-LFZMJJARSA-N
XLogP18.05
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.53
LogP ≤ 518.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane with MolForge

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Related Compounds

N'-(N-benzyl-C-phenylcarbonimidoyl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene-23-carboximidamide;bis(prop-1-ene)
CID 144661694
N-[amino(phenyl)methylidene]-N'-benzyl-3-(16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaen-10-yl)benzenecarboximidamide
CID 144645140
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N-benzylmethanimine;N'-[[3-[4-(2,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)phenyl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 144705722
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-benzyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-d]pyrimidine-4-carboximidamide
CID 142592839
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N-methylidene-N'-[[3-[4-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)phenyl]phenyl]methyl]benzenecarboximidamide
CID 144705430
N'-benzyl-N-[(methylideneamino)-(4-phenylphenyl)methylidene]-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-d]pyrimidine-4-carboximidamide
CID 142592804
N'-[N-[[3-[11-[3-bis(4-phenoxyphenyl)boranylphenyl]indolo[2,3-a]carbazol-12-yl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 144597072

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane?
The IUPAC name of ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane (CID 144661744) is ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane.
What is the SMILES notation for ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane?
The canonical SMILES for ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane is C/C=C\C(C)=C/C.C=C.C=C/C=c1\c(=C/C)sc2c1ccc1c3cc4c(ccn4-c4ccccc4)cc3n(C)c12.C=N/C(=N\C(=N/Cc1cccc(-c2ccccc2)c1)c1ccccc1)c1ccccc1.CC.CCC.CN.
What is the InChIKey of ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane?
The InChIKey is RVHXNESBPKMSGN-LFZMJJARSA-N. The full InChI is InChI=1S/C28H23N3.C28H22N2S.C7H12.C3H8.C2H6.C2H4.CH5N/c1-29-27(24-15-7-3-8-16-24)31-28(25-17-9-4-10-18-25)30-21-22-12-11-19-26(20-22)23-13-5-2-6-14-23;1-4-9-20-22-13-12-21-23-17-24-18(14-15-30(24)19-10-7-6-8-11-19)16-25(23)29(3)27(21)28(22)31-26(20)5-2;1-4-6-7(3)5-2;1-3-2;3*1-2/h2-20H,1,21H2;4-17H,1H2,2-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3;1-2H2;2H2,1H3/b30-28-,31-27-;20-9-,26-5+;6-4-,7-5-;;;;.
What are the key properties of ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane?
ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane has a molecular weight of 1049.53 g/mol, XLogP of 18.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(15E,16Z)-15-ethylidene-11-methyl-5-phenyl-16-prop-2-enylidene-14-thia-5,11-diazapentacyclo[10.7.0.02,10.04,8.013,17]nonadeca-1(12),2(10),3,6,8,13(17),18-heptaene;methanamine;(2Z,4Z)-3-methylhexa-2,4-diene;N-methylidene-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]benzenecarboximidamide;propane is sourced from PubChem (CID 144661744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).