N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran

C65H59NOS — CID 144578865

IUPACN-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESC=Cc1sc2ccc(-c3ccc(N(C)c4ccc(-c5cccc(-c6ccccc6C(C)CC)c5C)cc4)c(C)c3)cc2c1/C=C\C.CC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C44H43NS.C21H16O/c1-8-14-40-41-28-34(22-26-44(41)46-43(40)10-3)33-21-25-42(30(5)27-33)45(7)35-23-19-32(20-24-35)37-17-13-18-38(31(37)6)39-16-12-11-15-36(39)29(4)9-2;1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19/h8,10-29H,3,9H2,1-2,4-7H3;3-12H,1-2H3/b14-8-;
InChIKeyQSXRASHVXBYWTJ-ZXDBEMHSSA-N
MW902.26 g/mol
LogP19.37
Rot. Bonds9

About N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran

N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran (PubChem CID 144578865) has the molecular formula C65H59NOS and a molecular weight of 902.26 g/mol. Its IUPAC name is N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound NameN-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran
PubChem CID144578865
Molecular FormulaC65H59NOS
Molecular Weight902.26 g/mol
Exact Mass901.43
IUPAC NameN-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESC=Cc1sc2ccc(-c3ccc(N(C)c4ccc(-c5cccc(-c6ccccc6C(C)CC)c5C)cc4)c(C)c3)cc2c1/C=C\C.CC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C44H43NS.C21H16O/c1-8-14-40-41-28-34(22-26-44(41)46-43(40)10-3)33-21-25-42(30(5)27-33)45(7)35-23-19-32(20-24-35)37-17-13-18-38(31(37)6)39-16-12-11-15-36(39)29(4)9-2;1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19/h8,10-29H,3,9H2,1-2,4-7H3;3-12H,1-2H3/b14-8-;
InChIKeyQSXRASHVXBYWTJ-ZXDBEMHSSA-N
XLogP19.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.26
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144907086
N-(9,9-dimethylfluoren-2-yl)-N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
CID 144907267
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 166503502
(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145430425
N-(4-dibenzofuran-4-ylphenyl)-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-4-yl]-9,9'-spirobi[fluorene]-2-amine
CID 167119017
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;2-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163456143
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839577
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(2-phenylphenyl)methyl]phenyl]-9,9-dimethylfluorene;9,9-dimethyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-ylmethyl)fluoren-2-amine
CID 157311651
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The IUPAC name of N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran (CID 144578865) is N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The canonical SMILES for N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran is C=Cc1sc2ccc(-c3ccc(N(C)c4ccc(-c5cccc(-c6ccccc6C(C)CC)c5C)cc4)c(C)c3)cc2c1/C=C\C.CC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The InChIKey is QSXRASHVXBYWTJ-ZXDBEMHSSA-N. The full InChI is InChI=1S/C44H43NS.C21H16O/c1-8-14-40-41-28-34(22-26-44(41)46-43(40)10-3)33-21-25-42(30(5)27-33)45(7)35-23-19-32(20-24-35)37-17-13-18-38(31(37)6)39-16-12-11-15-36(39)29(4)9-2;1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19/h8,10-29H,3,9H2,1-2,4-7H3;3-12H,1-2H3/b14-8-;.
What are the key properties of N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran?
N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran has a molecular weight of 902.26 g/mol, XLogP of 19.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 144578865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).