N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine

C60H49N — CID 144624203

IUPACN-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine
SMILESC/C(=N\c1c(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)ccc(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)c1C)c1ccc2c(c1)C1=C(CCC=C1)C2
InChIInChI=1S/C60H49N/c1-37-52(41-19-15-39(16-20-41)44-24-27-50-32-47-10-4-7-13-54(47)58(50)35-44)29-30-56(60(37)61-38(2)43-23-26-49-31-46-9-3-6-12-53(46)57(49)34-43)42-21-17-40(18-22-42)45-25-28-51-33-48-11-5-8-14-55(48)59(51)36-45/h6-8,12-30,34-36H,3-5,9-11,31-33H2,1-2H3/b61-38+
InChIKeyASHNERBODJTTKU-VEYWZFBVSA-N
MW784.06 g/mol
LogP15.78
Rot. Bonds6

About N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine

N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine (PubChem CID 144624203) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine.

Molecular Properties

Compound NameN-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine
PubChem CID144624203
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC NameN-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine
SMILESC/C(=N\c1c(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)ccc(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)c1C)c1ccc2c(c1)C1=C(CCC=C1)C2
InChIInChI=1S/C60H49N/c1-37-52(41-19-15-39(16-20-41)44-24-27-50-32-47-10-4-7-13-54(47)58(50)35-44)29-30-56(60(37)61-38(2)43-23-26-49-31-46-9-3-6-12-53(46)57(49)34-43)42-21-17-40(18-22-42)45-25-28-51-33-48-11-5-8-14-55(48)59(51)36-45/h6-8,12-30,34-36H,3-5,9-11,31-33H2,1-2H3/b61-38+
InChIKeyASHNERBODJTTKU-VEYWZFBVSA-N
XLogP15.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 515.78
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

N-[6-[4-(6,7-dihydrodibenzothiophen-2-yl)phenyl]-2-methyl-3-[4-[4-methyl-3-(2-methylcyclohexen-1-yl)phenyl]phenyl]phenyl]-1-[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]ethanimine
CID 144624159
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
CID 71106281
benzene;1,1'-biphenyl;2,9-dihydro-1H-fluorene;1,2-dihydronaphthalene
CID 157412815
3-(8,9-dihydro-7H-fluoren-3-yl)-9-phenyl-6-[9-phenyl-6-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-3-yl]carbazole
CID 144644382
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 144605224
3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
CID 145108670
2,9-dihydro-1H-fluorene;oxolane
CID 175322963
N-[2-(8,9-dihydro-7H-fluoren-3-ylmethylsulfanyl)-6-[4-[2-ethyl-3-[(3E)-3-methylocta-1,3-dien-4-yl]phenyl]phenyl]-3-[4-[3-(2-methylhex-2-en-3-yl)-2-propylphenyl]phenyl]phenyl]methanimine
CID 144624101
1,6,7,8-tetrahydrochrysen-2-ol
CID 175286518
4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile
CID 135233648
9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane
CID 143599001
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388

Frequently Asked Questions

What is the IUPAC name of N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine?
The IUPAC name of N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine (CID 144624203) is N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine.
What is the SMILES notation for N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine?
The canonical SMILES for N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine is C/C(=N\c1c(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)ccc(-c2ccc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc2)c1C)c1ccc2c(c1)C1=C(CCC=C1)C2.
What is the InChIKey of N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine?
The InChIKey is ASHNERBODJTTKU-VEYWZFBVSA-N. The full InChI is InChI=1S/C60H49N/c1-37-52(41-19-15-39(16-20-41)44-24-27-50-32-47-10-4-7-13-54(47)58(50)35-44)29-30-56(60(37)61-38(2)43-23-26-49-31-46-9-3-6-12-53(46)57(49)34-43)42-21-17-40(18-22-42)45-25-28-51-33-48-11-5-8-14-55(48)59(51)36-45/h6-8,12-30,34-36H,3-5,9-11,31-33H2,1-2H3/b61-38+.
What are the key properties of N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine?
N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine has a molecular weight of 784.06 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine is sourced from PubChem (CID 144624203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).