(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene

C40H33N — CID 144640069

IUPAC(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene
SMILESCc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C3=C(/C=C\C=C/N4)c4ccccc4C3(C)C)c2)cc1
InChIInChI=1S/C40H33N/c1-27-18-20-28(21-19-27)29-11-10-12-30(25-29)31-22-23-38-36(26-31)32-13-4-5-15-34(32)39-35(16-8-9-24-41-38)33-14-6-7-17-37(33)40(39,2)3/h4-26,41H,1-3H3/b16-8-,24-9-
InChIKeyIUUIFPVIHUPEFL-XYJSBEJRSA-N
MW527.71 g/mol
LogP10.69
Rot. Bonds2

About (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene

(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene (PubChem CID 144640069) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene.

Molecular Properties

Compound Name(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene
PubChem CID144640069
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC Name(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene
SMILESCc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C3=C(/C=C\C=C/N4)c4ccccc4C3(C)C)c2)cc1
InChIInChI=1S/C40H33N/c1-27-18-20-28(21-19-27)29-11-10-12-30(25-29)31-22-23-38-36(26-31)32-13-4-5-15-34(32)39-35(16-8-9-24-41-38)33-14-6-7-17-37(33)40(39,2)3/h4-26,41H,1-3H3/b16-8-,24-9-
InChIKeyIUUIFPVIHUPEFL-XYJSBEJRSA-N
XLogP10.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene with MolForge

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Related Compounds

9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 145232569
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;(9E,11E,13Z)-12-methyl-11-(2-methylphenyl)-4-[3-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(19),2(7),3,5,9,11,13,15,17-nonaene;bis(1-methyl-4-phenylbenzene)
CID 144639968
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216

Frequently Asked Questions

What is the IUPAC name of (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene?
The IUPAC name of (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene (CID 144640069) is (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene.
What is the SMILES notation for (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene?
The canonical SMILES for (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene is Cc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C3=C(/C=C\C=C/N4)c4ccccc4C3(C)C)c2)cc1.
What is the InChIKey of (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene?
The InChIKey is IUUIFPVIHUPEFL-XYJSBEJRSA-N. The full InChI is InChI=1S/C40H33N/c1-27-18-20-28(21-19-27)29-11-10-12-30(25-29)31-22-23-38-36(26-31)32-13-4-5-15-34(32)39-35(16-8-9-24-41-38)33-14-6-7-17-37(33)40(39,2)3/h4-26,41H,1-3H3/b16-8-,24-9-.
What are the key properties of (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene?
(15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene has a molecular weight of 527.71 g/mol, XLogP of 10.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15E,17Z)-26,26-dimethyl-10-[3-(4-methylphenyl)phenyl]-14-azapentacyclo[17.7.0.02,7.08,13.020,25]hexacosa-1(19),2,4,6,8(13),9,11,15,17,20,22,24-dodecaene is sourced from PubChem (CID 144640069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).