9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine

C63H52N2 — CID 145110271

IUPAC9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC=C/C=C\C(=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4N(c4ccccc4)/C(=C/CCC=C)C5)cc3)cc21
InChIInChI=1S/C63H52N2/c1-4-7-13-33-55-43-49-42-48(46-24-14-9-15-25-46)44-59(62(49)65(55)53-31-20-12-21-32-53)47-36-38-54(39-37-47)64(52-29-18-11-19-30-52)56-40-41-58-57-34-22-23-35-60(57)63(61(58)45-56,50(6-3)26-8-5-2)51-27-16-10-17-28-51/h4-6,8-12,14-42,44-45H,1-2,7,13,43H2,3H3/b26-8-,50-6+,55-33+
InChIKeyWJRSLPJWEZAUIB-ISVLCGAUSA-N
MW837.12 g/mol
LogP17.04
Rot. Bonds13

About 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine

9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine (PubChem CID 145110271) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine
PubChem CID145110271
Molecular FormulaC63H52N2
Molecular Weight837.12 g/mol
Exact Mass836.41
IUPAC Name9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine
SMILESC=C/C=C\C(=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4N(c4ccccc4)/C(=C/CCC=C)C5)cc3)cc21
InChIInChI=1S/C63H52N2/c1-4-7-13-33-55-43-49-42-48(46-24-14-9-15-25-46)44-59(62(49)65(55)53-31-20-12-21-32-53)47-36-38-54(39-37-47)64(52-29-18-11-19-30-52)56-40-41-58-57-34-22-23-35-60(57)63(61(58)45-56,50(6-3)26-8-5-2)51-27-16-10-17-28-51/h4-6,8-12,14-42,44-45H,1-2,7,13,43H2,3H3/b26-8-,50-6+,55-33+
InChIKeyWJRSLPJWEZAUIB-ISVLCGAUSA-N
XLogP17.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
CID 142515593
2'-[(1Z)-buta-1,3-dienyl]-3'-methyl-N,N,1'-triphenyl-6'-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,4'-quinoline]-8'-amine
CID 170041625
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
N-[9-[(3E)-penta-1,3-dien-3-yl]-9-phenylfluoren-2-yl]-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-17-amine
CID 138581486
N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750833
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
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
N-phenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 135137313
N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750689
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine?
The IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine (CID 145110271) is 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine.
What is the SMILES notation for 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine?
The canonical SMILES for 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine is C=C/C=C\C(=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc5c4N(c4ccccc4)/C(=C/CCC=C)C5)cc3)cc21.
What is the InChIKey of 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine?
The InChIKey is WJRSLPJWEZAUIB-ISVLCGAUSA-N. The full InChI is InChI=1S/C63H52N2/c1-4-7-13-33-55-43-49-42-48(46-24-14-9-15-25-46)44-59(62(49)65(55)53-31-20-12-21-32-53)47-36-38-54(39-37-47)64(52-29-18-11-19-30-52)56-40-41-58-57-34-22-23-35-60(57)63(61(58)45-56,50(6-3)26-8-5-2)51-27-16-10-17-28-51/h4-6,8-12,14-42,44-45H,1-2,7,13,43H2,3H3/b26-8-,50-6+,55-33+.
What are the key properties of 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine?
9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine has a molecular weight of 837.12 g/mol, XLogP of 17.04, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[4-[(2E)-2-pent-4-enylidene-1,5-diphenyl-3H-indol-7-yl]phenyl]-N,9-diphenylfluoren-2-amine is sourced from PubChem (CID 145110271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).