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

C66H71NS — CID 144624101

IUPACN-[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
SMILESC=C/C(C)=C(\CCCC)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(C(CCC)=C(C)C)c5CCC)cc4)c(SCc4ccc5c(c4)C4=C(CCC=C4)C5)c3N=C)cc2)c1CC
InChIInChI=1S/C66H71NS/c1-10-15-23-55(45(8)13-4)62-27-18-25-56(53(62)14-5)47-31-35-49(36-32-47)59-39-40-60(66(65(59)67-9)68-43-46-29-30-52-42-51-22-16-17-24-58(51)64(52)41-46)50-37-33-48(34-38-50)57-26-19-28-63(61(57)21-12-3)54(20-11-2)44(6)7/h13,17-19,24-41H,4,9-12,14-16,20-23,42-43H2,1-3,5-8H3/b55-45+
InChIKeySZFRVYSYMIVQGH-INDKFCKRSA-N
MW910.37 g/mol
LogP19.90
Rot. Bonds19

About 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

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 (PubChem CID 144624101) has the molecular formula C66H71NS and a molecular weight of 910.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID144624101
Molecular FormulaC66H71NS
Molecular Weight910.37 g/mol
Exact Mass909.53
IUPAC NameN-[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
SMILESC=C/C(C)=C(\CCCC)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(C(CCC)=C(C)C)c5CCC)cc4)c(SCc4ccc5c(c4)C4=C(CCC=C4)C5)c3N=C)cc2)c1CC
InChIInChI=1S/C66H71NS/c1-10-15-23-55(45(8)13-4)62-27-18-25-56(53(62)14-5)47-31-35-49(36-32-47)59-39-40-60(66(65(59)67-9)68-43-46-29-30-52-42-51-22-16-17-24-58(51)64(52)41-46)50-37-33-48(34-38-50)57-26-19-28-63(61(57)21-12-3)54(20-11-2)44(6)7/h13,17-19,24-41H,4,9-12,14-16,20-23,42-43H2,1-3,5-8H3/b55-45+
InChIKeySZFRVYSYMIVQGH-INDKFCKRSA-N
XLogP19.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.37
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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
N-[2-[(2-methylphenyl)methylsulfanyl]-6-[4-[2-[(Z)-prop-1-enyl]-3-propyl-4,5-dihydroindol-1-yl]phenyl]-3-[4-[2-[(Z)-prop-1-enyl]-3-propyl-4,5,6,7-tetrahydroindol-1-yl]phenyl]phenyl]methanimine;1,2-xylene
CID 144624083
1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
CID 173408887
1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene
CID 156827286
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
CID 71106281
4,6-dimethylcyclohexa-1,2,4-triene;ethane;1-[4-[4-[4-[1-[(Z)-hept-2-en-4-yl]benzimidazol-2-yl]phenyl]-3-(methylideneamino)-2-[[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]methylsulfanyl]phenyl]phenyl]-N-(2-methylcyclohexa-1,3-dien-1-yl)ethanimine
CID 144624085
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
benzene;1,1'-biphenyl;2,9-dihydro-1H-fluorene;1,2-dihydronaphthalene
CID 157412815
2-(4-cyclopropyl-5-phenylnaphthalen-1-yl)-7-[3-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-2-propylphenyl]triphenylene
CID 144670760
N-[3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-2-methyl-6-[4-[2-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]phenyl]methanimine;ethane;9-(4-ethylphenyl)-1,2-dihydrocarbazole
CID 144624109
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
2,9-dihydro-1H-fluorene;oxolane
CID 175322963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C(C)=C(\CCCC)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(C(CCC)=C(C)C)c5CCC)cc4)c(SCc4ccc5c(c4)C4=C(CCC=C4)C5)c3N=C)cc2)c1CC.
What is the InChIKey of 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?
The InChIKey is SZFRVYSYMIVQGH-INDKFCKRSA-N. The full InChI is InChI=1S/C66H71NS/c1-10-15-23-55(45(8)13-4)62-27-18-25-56(53(62)14-5)47-31-35-49(36-32-47)59-39-40-60(66(65(59)67-9)68-43-46-29-30-52-42-51-22-16-17-24-58(51)64(52)41-46)50-37-33-48(34-38-50)57-26-19-28-63(61(57)21-12-3)54(20-11-2)44(6)7/h13,17-19,24-41H,4,9-12,14-16,20-23,42-43H2,1-3,5-8H3/b55-45+.
What are the key properties of 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?
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 has a molecular weight of 910.37 g/mol, XLogP of 19.90, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144624101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).