9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine

C62H47N — CID 142515593

IUPAC9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
SMILESC=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2cc(-c3ccc(-c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C62H47N/c1-3-19-52(20-4-2)62(53-27-15-8-16-28-53)59-30-18-17-29-56(59)58-43-57(51-33-31-48(32-34-51)45-21-9-5-10-22-45)61(44-60(58)62)63(54-39-35-49(36-40-54)46-23-11-6-12-24-46)55-41-37-50(38-42-55)47-25-13-7-14-26-47/h3-44H,1H2,2H3/b20-4-,52-19+
InChIKeyRNUGYJLLGJNIEG-GMNVUJECSA-N
MW806.07 g/mol
LogP16.83
Rot. Bonds11

About 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine (PubChem CID 142515593) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
PubChem CID142515593
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
SMILESC=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2cc(-c3ccc(-c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C62H47N/c1-3-19-52(20-4-2)62(53-27-15-8-16-28-53)59-30-18-17-29-56(59)58-43-57(51-33-31-48(32-34-51)45-21-9-5-10-22-45)61(44-60(58)62)63(54-39-35-49(36-40-54)46-23-11-6-12-24-46)55-41-37-50(38-42-55)47-25-13-7-14-26-47/h3-44H,1H2,2H3/b20-4-,52-19+
InChIKeyRNUGYJLLGJNIEG-GMNVUJECSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine
CID 126548497
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N-(4-phenylphenyl)-N-[3-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]fluoren-2-amine
CID 155424049
7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144660807
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
9-[(3E)-hexa-1,3,5-trien-3-yl]-N-(4-phenanthren-9-ylphenyl)-9-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 155304857
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-N-phenyl-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 142540856
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine (CID 142515593) is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine is C=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2cc(-c3ccc(-c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine?
The InChIKey is RNUGYJLLGJNIEG-GMNVUJECSA-N. The full InChI is InChI=1S/C62H47N/c1-3-19-52(20-4-2)62(53-27-15-8-16-28-53)59-30-18-17-29-56(59)58-43-57(51-33-31-48(32-34-51)45-21-9-5-10-22-45)61(44-60(58)62)63(54-39-35-49(36-40-54)46-23-11-6-12-24-46)55-41-37-50(38-42-55)47-25-13-7-14-26-47/h3-44H,1H2,2H3/b20-4-,52-19+.
What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine?
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine has a molecular weight of 806.07 g/mol, XLogP of 16.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142515593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).