2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine

C40H33N — CID 144639849

IUPAC2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine
SMILES[H]/N=C(/Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(C2=CCC(C)C=C2)cc1
InChIInChI=1S/C40H33N/c1-28-16-19-30(20-17-28)31-21-23-32(24-22-31)39(41)27-29-18-25-38-36(26-29)35-14-8-9-15-37(35)40(38,33-10-4-2-5-11-33)34-12-6-3-7-13-34/h2-16,18-26,28,41H,17,27H2,1H3/b41-39-
InChIKeyMBXYIFOHEFYEAI-YTCTUYNNSA-N
MW527.71 g/mol
LogP9.64
Rot. Bonds6

About 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine

2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine (PubChem CID 144639849) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine
PubChem CID144639849
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC Name2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine
SMILES[H]/N=C(/Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(C2=CCC(C)C=C2)cc1
InChIInChI=1S/C40H33N/c1-28-16-19-30(20-17-28)31-21-23-32(24-22-31)39(41)27-29-18-25-38-36(26-29)35-14-8-9-15-37(35)40(38,33-10-4-2-5-11-33)34-12-6-3-7-13-34/h2-16,18-26,28,41H,17,27H2,1H3/b41-39-
InChIKeyMBXYIFOHEFYEAI-YTCTUYNNSA-N
XLogP9.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)ethanimine
CID 144639664
N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 146414763
4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-2-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 163523886
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
phenyl-[4-(9-phenylfluoren-9-yl)phenyl]methanimine
CID 167230637
3,9,9-triphenylfluorene
CID 140844354
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
3-[4-[4-[N-(11,11-dimethylbenzo[a]fluoren-3-yl)-4-(4-methylcyclohexa-1,5-dien-1-yl)anilino]phenyl]-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino]-11-methylbenzo[a]fluoren-11-ol
CID 143561120
9,9-diphenylfluorene;propane
CID 158205050
N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
CID 154972808
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine?
The IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine (CID 144639849) is 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine?
The canonical SMILES for 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine is [H]/N=C(/Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccc(C2=CCC(C)C=C2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine?
The InChIKey is MBXYIFOHEFYEAI-YTCTUYNNSA-N. The full InChI is InChI=1S/C40H33N/c1-28-16-19-30(20-17-28)31-21-23-32(24-22-31)39(41)27-29-18-25-38-36(26-29)35-14-8-9-15-37(35)40(38,33-10-4-2-5-11-33)34-12-6-3-7-13-34/h2-16,18-26,28,41H,17,27H2,1H3/b41-39-.
What are the key properties of 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine?
2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine has a molecular weight of 527.71 g/mol, XLogP of 9.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-3-yl)-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]ethanimine is sourced from PubChem (CID 144639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).