(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile

C54H43N3 — CID 144924857

IUPAC(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile
SMILESC=C/C(C#N)=C\Cc1cccc(-c2cc3c(c(C=C)c2/C=C\C)-c2ccc(-c4cccc(/C(N)=C/C(C#N)=C\C)c4)cc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C54H43N3/c1-5-17-47-46(8-4)53-48-29-28-41(40-19-16-21-43(32-40)52(57)31-38(7-3)36-56)33-50(48)54(44-22-11-9-12-23-44,45-24-13-10-14-25-45)51(53)34-49(47)42-20-15-18-39(30-42)27-26-37(6-2)35-55/h5-26,28-34H,2,4,27,57H2,1,3H3/b17-5-,37-26+,38-7+,52-31-
InChIKeyHJIXRSMZWMDMEB-IAAWJERISA-N
MW733.96 g/mol
LogP13.01
Rot. Bonds11

About (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile

(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile (PubChem CID 144924857) has the molecular formula C54H43N3 and a molecular weight of 733.96 g/mol. Its IUPAC name is (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile
PubChem CID144924857
Molecular FormulaC54H43N3
Molecular Weight733.96 g/mol
Exact Mass733.35
IUPAC Name(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile
SMILESC=C/C(C#N)=C\Cc1cccc(-c2cc3c(c(C=C)c2/C=C\C)-c2ccc(-c4cccc(/C(N)=C/C(C#N)=C\C)c4)cc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C54H43N3/c1-5-17-47-46(8-4)53-48-29-28-41(40-19-16-21-43(32-40)52(57)31-38(7-3)36-56)33-50(48)54(44-22-11-9-12-23-44,45-24-13-10-14-25-45)51(53)34-49(47)42-20-15-18-39(30-42)27-26-37(6-2)35-55/h5-26,28-34H,2,4,27,57H2,1,3H3/b17-5-,37-26+,38-7+,52-31-
InChIKeyHJIXRSMZWMDMEB-IAAWJERISA-N
XLogP13.01
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile with MolForge

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Related Compounds

(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 144925453
9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
CID 144924595
3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
CID 144612942
N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 176835262
ethane;(E)-2-ethenyl-4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)but-2-enenitrile
CID 144925061
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
CID 144614661
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine
CID 144614792
(1Z,3E)-3-[9,9-dimethyl-6'-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142480492
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile?
The IUPAC name of (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile (CID 144924857) is (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile.
What is the SMILES notation for (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile?
The canonical SMILES for (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile is C=C/C(C#N)=C\Cc1cccc(-c2cc3c(c(C=C)c2/C=C\C)-c2ccc(-c4cccc(/C(N)=C/C(C#N)=C\C)c4)cc2C3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile?
The InChIKey is HJIXRSMZWMDMEB-IAAWJERISA-N. The full InChI is InChI=1S/C54H43N3/c1-5-17-47-46(8-4)53-48-29-28-41(40-19-16-21-43(32-40)52(57)31-38(7-3)36-56)33-50(48)54(44-22-11-9-12-23-44,45-24-13-10-14-25-45)51(53)34-49(47)42-20-15-18-39(30-42)27-26-37(6-2)35-55/h5-26,28-34H,2,4,27,57H2,1,3H3/b17-5-,37-26+,38-7+,52-31-.
What are the key properties of (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile?
(E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile has a molecular weight of 733.96 g/mol, XLogP of 13.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-amino-2-[3-[7-[3-[(2E)-3-cyanopenta-2,4-dienyl]phenyl]-5-ethenyl-9,9-diphenyl-6-[(Z)-prop-1-enyl]fluoren-2-yl]phenyl]ethenyl]but-2-enenitrile is sourced from PubChem (CID 144924857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).