1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine

C35H27N — CID 178165620

IUPAC1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H27N/c1-25(27-15-6-3-7-16-27)36-26(2)30-22-14-24-33-34(30)31-21-12-13-23-32(31)35(33,28-17-8-4-9-18-28)29-19-10-5-11-20-29/h3-24H,1H2,2H3/b36-26+
InChIKeyBEUDZYQZPRKPIQ-LZBRRTOVSA-N
MW461.61 g/mol
LogP8.53
Rot. Bonds5

About 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine

1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine (PubChem CID 178165620) has the molecular formula C35H27N and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine.

Molecular Properties

Compound Name1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine
PubChem CID178165620
Molecular FormulaC35H27N
Molecular Weight461.61 g/mol
Exact Mass461.21
IUPAC Name1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H27N/c1-25(27-15-6-3-7-16-27)36-26(2)30-22-14-24-33-34(30)31-21-12-13-23-32(31)35(33,28-17-8-4-9-18-28)29-19-10-5-11-20-29/h3-24H,1H2,2H3/b36-26+
InChIKeyBEUDZYQZPRKPIQ-LZBRRTOVSA-N
XLogP8.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-carbazol-9-ylphenyl)-N-(1-phenylethenyl)ethanimine;9,9-diphenyl-4-prop-1-en-2-ylfluorene
CID 145237212
N'-(1-phenylethenyl)-N-[1-[2-phenyl-3-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]ethylidene]benzenecarboximidamide
CID 174328011
4-methyl-9,9-diphenylfluorene
CID 123595050
(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
CID 145306340
9,9-diphenylfluorene;propane
CID 158205050
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
9,9-diphenylfluorene;methoxymethane
CID 143139467
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine?
The IUPAC name of 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine (CID 178165620) is 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine.
What is the SMILES notation for 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine?
The canonical SMILES for 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine is C=C(/N=C(\C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine?
The InChIKey is BEUDZYQZPRKPIQ-LZBRRTOVSA-N. The full InChI is InChI=1S/C35H27N/c1-25(27-15-6-3-7-16-27)36-26(2)30-22-14-24-33-34(30)31-21-12-13-23-32(31)35(33,28-17-8-4-9-18-28)29-19-10-5-11-20-29/h3-24H,1H2,2H3/b36-26+.
What are the key properties of 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine?
1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine has a molecular weight of 461.61 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine is sourced from PubChem (CID 178165620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).