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

C66H57NS — CID 144624159

IUPACN-[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
SMILESCC1=C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8c(c7c6)C=CCC8)cc5)c(/N=C(\C)c5ccc(-c6ccc7c(c6)C6=C(CCC=C6)C7)cc5)c4C)cc3)ccc2C)CCCC1
InChIInChI=1S/C66H57NS/c1-41-11-5-7-13-56(41)61-38-51(18-17-42(61)2)47-23-27-49(28-24-47)57-34-35-59(50-29-25-48(26-30-50)53-33-36-65-63(40-53)60-15-9-10-16-64(60)68-65)66(43(57)3)67-44(4)45-19-21-46(22-20-45)52-31-32-55-37-54-12-6-8-14-58(54)62(55)39-52/h8-9,14-15,17-36,38-40H,5-7,10-13,16,37H2,1-4H3/b67-44+
InChIKeyBKDZJDVTIDGHMQ-FGOBFBHYSA-N
MW896.26 g/mol
LogP18.96
Rot. Bonds8

About 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

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 (PubChem CID 144624159) has the molecular formula C66H57NS and a molecular weight of 896.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID144624159
Molecular FormulaC66H57NS
Molecular Weight896.26 g/mol
Exact Mass895.42
IUPAC NameN-[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
SMILESCC1=C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8c(c7c6)C=CCC8)cc5)c(/N=C(\C)c5ccc(-c6ccc7c(c6)C6=C(CCC=C6)C7)cc5)c4C)cc3)ccc2C)CCCC1
InChIInChI=1S/C66H57NS/c1-41-11-5-7-13-56(41)61-38-51(18-17-42(61)2)47-23-27-49(28-24-47)57-34-35-59(50-29-25-48(26-30-50)53-33-36-65-63(40-53)60-15-9-10-16-64(60)68-65)66(43(57)3)67-44(4)45-19-21-46(22-20-45)52-31-32-55-37-54-12-6-8-14-58(54)62(55)39-52/h8-9,14-15,17-36,38-40H,5-7,10-13,16,37H2,1-4H3/b67-44+
InChIKeyBKDZJDVTIDGHMQ-FGOBFBHYSA-N
XLogP18.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.26
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[11,17-di(dibenzothiophen-2-yl)-24-(6,7-dihydrodibenzothiophen-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaenyl]dibenzothiophene
CID 89132816
2-(6,7-dihydrodibenzothiophen-3-yl)-4-(9H-fluoren-1-yl)-6-[3-methyl-2-(2-methylphenyl)phenyl]-1,3,5-triazine
CID 170134390
3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
CID 145108670
7-phenyl-3,4-dihydrodibenzothiophene
CID 167310595
2-dibenzothiophen-2-yl-7-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-1,3-benzothiazole;1-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)benzene;1-methyl-2-(2-methylcyclohexen-1-yl)benzene
CID 144624225
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
CID 71106281
2-(4-carbazol-9-ylphenyl)-4,7-bis[4-(6,7-dihydrodibenzothiophen-2-yl)phenyl]-1,3-benzothiazole
CID 144624129
3-[12-(6,7-dihydrodibenzothiophen-3-yl)tetracen-5-yl]dibenzothiophene
CID 89016439
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
1-[18-(6,7-dihydrodibenzothiophen-1-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,11,13(24),14(22),15(20),16,18-decaenyl]dibenzothiophene
CID 163639611
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 144605224

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8c(c7c6)C=CCC8)cc5)c(/N=C(\C)c5ccc(-c6ccc7c(c6)C6=C(CCC=C6)C7)cc5)c4C)cc3)ccc2C)CCCC1.
What is the InChIKey of 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?
The InChIKey is BKDZJDVTIDGHMQ-FGOBFBHYSA-N. The full InChI is InChI=1S/C66H57NS/c1-41-11-5-7-13-56(41)61-38-51(18-17-42(61)2)47-23-27-49(28-24-47)57-34-35-59(50-29-25-48(26-30-50)53-33-36-65-63(40-53)60-15-9-10-16-64(60)68-65)66(43(57)3)67-44(4)45-19-21-46(22-20-45)52-31-32-55-37-54-12-6-8-14-58(54)62(55)39-52/h8-9,14-15,17-36,38-40H,5-7,10-13,16,37H2,1-4H3/b67-44+.
What are the key properties of 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?
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 has a molecular weight of 896.26 g/mol, XLogP of 18.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144624159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).