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

C62H44N2 — CID 145092835

IUPAC9-[(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
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C62H44N2/c1-3-20-44(21-4-2)63-56-34-17-13-29-52(56)60-57(63)35-19-36-58(60)64(45-40-38-43(39-41-45)42-22-6-5-7-23-42)59-37-18-30-51-50-28-12-16-33-55(50)62(61(51)59)53-31-14-10-26-48(53)46-24-8-9-25-47(46)49-27-11-15-32-54(49)62/h3-41H,1H2,2H3/b21-4-,44-20+
InChIKeyMPURINMBJXNJSI-HGORTSMBSA-N
MW817.05 g/mol
LogP16.54
Rot. Bonds7

About 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

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 (PubChem CID 145092835) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[(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
PubChem CID145092835
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name9-[(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
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C62H44N2/c1-3-20-44(21-4-2)63-56-34-17-13-29-52(56)60-57(63)35-19-36-58(60)64(45-40-38-43(39-41-45)42-22-6-5-7-23-42)59-37-18-30-51-50-28-12-16-33-55(50)62(61(51)59)53-31-14-10-26-48(53)46-24-8-9-25-47(46)49-27-11-15-32-54(49)62/h3-41H,1H2,2H3/b21-4-,44-20+
InChIKeyMPURINMBJXNJSI-HGORTSMBSA-N
XLogP16.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(4-phenylphenyl)-N-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]carbazol-3-amine
CID 166932932
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
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170666319
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1-amine
CID 146333559
N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine
CID 171418819
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(\C=C/C)n1c2ccccc2c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of 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?
The InChIKey is MPURINMBJXNJSI-HGORTSMBSA-N. The full InChI is InChI=1S/C62H44N2/c1-3-20-44(21-4-2)63-56-34-17-13-29-52(56)60-57(63)35-19-36-58(60)64(45-40-38-43(39-41-45)42-22-6-5-7-23-42)59-37-18-30-51-50-28-12-16-33-55(50)62(61(51)59)53-31-14-10-26-48(53)46-24-8-9-25-47(46)49-27-11-15-32-54(49)62/h3-41H,1H2,2H3/b21-4-,44-20+.
What are the key properties of 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?
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 has a molecular weight of 817.05 g/mol, XLogP of 16.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145092835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).