9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene

C71H67NS — CID 145354305

IUPAC9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene
SMILESCC.CC.Cc1ccc2c(c1)sc1ccccc12.Cc1ccccc1-c1cccc(-c2c(C)cccc2-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc2-3)c1C
InChIInChI=1S/C54H45N.C13H10S.2C2H6/c1-36-16-12-13-22-45(36)46-23-15-24-47(38(46)3)53-37(2)17-14-25-48(53)41-28-32-49-50-33-31-44(35-52(50)54(4,5)51(49)34-41)55(42-20-10-7-11-21-42)43-29-26-40(27-30-43)39-18-8-6-9-19-39;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;2*1-2/h6-35H,1-5H3;2-8H,1H3;2*1-2H3
InChIKeyFJYFYAZNMKENPT-UHFFFAOYSA-N
MW966.39 g/mol
LogP21.47
Rot. Bonds7

About 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene

9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene (PubChem CID 145354305) has the molecular formula C71H67NS and a molecular weight of 966.39 g/mol. Its IUPAC name is 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene.

Molecular Properties

Compound Name9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene
PubChem CID145354305
Molecular FormulaC71H67NS
Molecular Weight966.39 g/mol
Exact Mass965.50
IUPAC Name9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene
SMILESCC.CC.Cc1ccc2c(c1)sc1ccccc12.Cc1ccccc1-c1cccc(-c2c(C)cccc2-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc2-3)c1C
InChIInChI=1S/C54H45N.C13H10S.2C2H6/c1-36-16-12-13-22-45(36)46-23-15-24-47(38(46)3)53-37(2)17-14-25-48(53)41-28-32-49-50-33-31-44(35-52(50)54(4,5)51(49)34-41)55(42-20-10-7-11-21-42)43-29-26-40(27-30-43)39-18-8-6-9-19-39;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;2*1-2/h6-35H,1-5H3;2-8H,1H3;2*1-2H3
InChIKeyFJYFYAZNMKENPT-UHFFFAOYSA-N
XLogP21.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.39
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155220978
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350
9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145354424
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
CID 168839628
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene?
The IUPAC name of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene (CID 145354305) is 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene.
What is the SMILES notation for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene?
The canonical SMILES for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene is CC.CC.Cc1ccc2c(c1)sc1ccccc12.Cc1ccccc1-c1cccc(-c2c(C)cccc2-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc2-3)c1C.
What is the InChIKey of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene?
The InChIKey is FJYFYAZNMKENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N.C13H10S.2C2H6/c1-36-16-12-13-22-45(36)46-23-15-24-47(38(46)3)53-37(2)17-14-25-48(53)41-28-32-49-50-33-31-44(35-52(50)54(4,5)51(49)34-41)55(42-20-10-7-11-21-42)43-29-26-40(27-30-43)39-18-8-6-9-19-39;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;2*1-2/h6-35H,1-5H3;2-8H,1H3;2*1-2H3.
What are the key properties of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene?
9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene has a molecular weight of 966.39 g/mol, XLogP of 21.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;ethane;3-methyldibenzothiophene is sourced from PubChem (CID 145354305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).