ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine

C71H62N2 — CID 145007093

IUPACethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine
SMILESC/C=C/C=C\C=C/c1ccccc1-c1cc2c3ccccc3n(-c3ccc4c(c3)-c3c(CC)cccc3C4)c2cc1C.C=C.C=C(/N=C(\C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C41H35N.C28H23N.C2H4/c1-4-6-7-8-9-15-30-16-10-11-19-34(30)36-27-38-35-20-12-13-21-39(35)42(40(38)24-28(36)3)33-23-22-31-25-32-18-14-17-29(5-2)41(32)37(31)26-33;1-21(25-15-9-17-27(19-25)23-11-5-3-6-12-23)29-22(2)26-16-10-18-28(20-26)24-13-7-4-8-14-24;1-2/h4,6-24,26-27H,5,25H2,1-3H3;3-20H,1H2,2H3;1-2H2/b6-4+,8-7-,15-9-;29-22+;
InChIKeyRKPDUVFGPYQGQN-NKQCFTHHSA-N
MW943.29 g/mol
LogP19.34
Rot. Bonds11

About ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine

ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine (PubChem CID 145007093) has the molecular formula C71H62N2 and a molecular weight of 943.29 g/mol. Its IUPAC name is ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine.

Molecular Properties

Compound Nameethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine
PubChem CID145007093
Molecular FormulaC71H62N2
Molecular Weight943.29 g/mol
Exact Mass942.49
IUPAC Nameethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine
SMILESC/C=C/C=C\C=C/c1ccccc1-c1cc2c3ccccc3n(-c3ccc4c(c3)-c3c(CC)cccc3C4)c2cc1C.C=C.C=C(/N=C(\C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C41H35N.C28H23N.C2H4/c1-4-6-7-8-9-15-30-16-10-11-19-34(30)36-27-38-35-20-12-13-21-39(35)42(40(38)24-28(36)3)33-23-22-31-25-32-18-14-17-29(5-2)41(32)37(31)26-33;1-21(25-15-9-17-27(19-25)23-11-5-3-6-12-23)29-22(2)26-16-10-18-28(20-26)24-13-7-4-8-14-24;1-2/h4,6-24,26-27H,5,25H2,1-3H3;3-20H,1H2,2H3;1-2H2/b6-4+,8-7-,15-9-;29-22+;
InChIKeyRKPDUVFGPYQGQN-NKQCFTHHSA-N
XLogP19.34
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.29
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
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ethane;2-methyl-3-(2-methyldibenzothiophen-3-yl)-9-phenylcarbazole;(Z)-2-methyl-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
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2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
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CID 144729927
N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
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9-[5-(9H-fluoren-4-yl)-8,9-dihydro-7H-fluoren-3-yl]-3-phenylcarbazole
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9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
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Frequently Asked Questions

What is the IUPAC name of ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine?
The IUPAC name of ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine (CID 145007093) is ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine.
What is the SMILES notation for ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine?
The canonical SMILES for ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine is C/C=C/C=C\C=C/c1ccccc1-c1cc2c3ccccc3n(-c3ccc4c(c3)-c3c(CC)cccc3C4)c2cc1C.C=C.C=C(/N=C(\C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine?
The InChIKey is RKPDUVFGPYQGQN-NKQCFTHHSA-N. The full InChI is InChI=1S/C41H35N.C28H23N.C2H4/c1-4-6-7-8-9-15-30-16-10-11-19-34(30)36-27-38-35-20-12-13-21-39(35)42(40(38)24-28(36)3)33-23-22-31-25-32-18-14-17-29(5-2)41(32)37(31)26-33;1-21(25-15-9-17-27(19-25)23-11-5-3-6-12-23)29-22(2)26-16-10-18-28(20-26)24-13-7-4-8-14-24;1-2/h4,6-24,26-27H,5,25H2,1-3H3;3-20H,1H2,2H3;1-2H2/b6-4+,8-7-,15-9-;29-22+;.
What are the key properties of ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine?
ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine has a molecular weight of 943.29 g/mol, XLogP of 19.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;9-(5-ethyl-9H-fluoren-3-yl)-3-[2-[(1Z,3Z,5E)-hepta-1,3,5-trienyl]phenyl]-2-methylcarbazole;1-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]ethanimine is sourced from PubChem (CID 145007093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).