2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine

C65H52N2O — CID 145360936

IUPAC2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4oc5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7C(C)(C)C(C=C)=C8/C=C\C)cc6)c5c4c3)ccc21
InChIInChI=1S/C65H52N2O/c1-7-18-48(19-8-2)67-58-26-15-14-23-53(58)55-41-46(33-39-59(55)67)47-34-40-61-56(42-47)63-51(24-17-28-62(63)68-61)45-31-37-50(38-32-45)66(49-35-29-44(30-36-49)43-21-12-11-13-22-43)60-27-16-25-54-52(20-9-3)57(10-4)65(5,6)64(54)60/h7-42H,1,4H2,2-3,5-6H3/b19-8-,20-9-,48-18+
InChIKeyNOVFFPHBJVPDDQ-NZPYBONZSA-N
MW877.14 g/mol
LogP18.57
Rot. Bonds11

About 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine

2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine (PubChem CID 145360936) has the molecular formula C65H52N2O and a molecular weight of 877.14 g/mol. Its IUPAC name is 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine.

Molecular Properties

Compound Name2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine
PubChem CID145360936
Molecular FormulaC65H52N2O
Molecular Weight877.14 g/mol
Exact Mass876.41
IUPAC Name2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4oc5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7C(C)(C)C(C=C)=C8/C=C\C)cc6)c5c4c3)ccc21
InChIInChI=1S/C65H52N2O/c1-7-18-48(19-8-2)67-58-26-15-14-23-53(58)55-41-46(33-39-59(55)67)47-34-40-61-56(42-47)63-51(24-17-28-62(63)68-61)45-31-37-50(38-32-45)66(49-35-29-44(30-36-49)43-21-12-11-13-22-43)60-27-16-25-54-52(20-9-3)57(10-4)65(5,6)64(54)60/h7-42H,1,4H2,2-3,5-6H3/b19-8-,20-9-,48-18+
InChIKeyNOVFFPHBJVPDDQ-NZPYBONZSA-N
XLogP18.57
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.14
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 153368992
N-(4-dibenzofuran-4-ylphenyl)-N-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]-8-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine
CID 166997237
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-1-ylcarbazol-4-amine
CID 145092835
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
1-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]-N-methyl-3,3-diphenylprop-2-en-1-imine
CID 144956035
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 153369534
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine?
The IUPAC name of 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine (CID 145360936) is 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine.
What is the SMILES notation for 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine?
The canonical SMILES for 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine is C=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4oc5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7C(C)(C)C(C=C)=C8/C=C\C)cc6)c5c4c3)ccc21.
What is the InChIKey of 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine?
The InChIKey is NOVFFPHBJVPDDQ-NZPYBONZSA-N. The full InChI is InChI=1S/C65H52N2O/c1-7-18-48(19-8-2)67-58-26-15-14-23-53(58)55-41-46(33-39-59(55)67)47-34-40-61-56(42-47)63-51(24-17-28-62(63)68-61)45-31-37-50(38-32-45)66(49-35-29-44(30-36-49)43-21-12-11-13-22-43)60-27-16-25-54-52(20-9-3)57(10-4)65(5,6)64(54)60/h7-42H,1,4H2,2-3,5-6H3/b19-8-,20-9-,48-18+.
What are the key properties of 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine?
2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine has a molecular weight of 877.14 g/mol, XLogP of 18.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]dibenzofuran-1-yl]phenyl]-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-4-amine is sourced from PubChem (CID 145360936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).