2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine

C66H65NS — CID 144614565

IUPAC2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine
SMILESCC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(N(c2cccc(C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)c1
InChIInChI=1S/C34H31N.C17H18.C13H10S.C2H6/c1-22-10-8-12-25(18-22)35(26-13-9-11-23(2)19-26)32-21-31-33(28-15-7-6-14-27(28)32)29-17-16-24(3)20-30(29)34(31,4)5;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-2/h6-21H,1-5H3;5-11,13H,3-4H2,1-2H3;2-8H,1H3;1-2H3
InChIKeyCJFJIIDMIPGKEG-UHFFFAOYSA-N
MW904.32 g/mol
LogP19.70
Rot. Bonds5

About 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine

2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine (PubChem CID 144614565) has the molecular formula C66H65NS and a molecular weight of 904.32 g/mol. Its IUPAC name is 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine.

Molecular Properties

Compound Name2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine
PubChem CID144614565
Molecular FormulaC66H65NS
Molecular Weight904.32 g/mol
Exact Mass903.48
IUPAC Name2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine
SMILESCC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(N(c2cccc(C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)c1
InChIInChI=1S/C34H31N.C17H18.C13H10S.C2H6/c1-22-10-8-12-25(18-22)35(26-13-9-11-23(2)19-26)32-21-31-33(28-15-7-6-14-27(28)32)29-17-16-24(3)20-30(29)34(31,4)5;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-2/h6-21H,1-5H3;5-11,13H,3-4H2,1-2H3;2-8H,1H3;1-2H3
InChIKeyCJFJIIDMIPGKEG-UHFFFAOYSA-N
XLogP19.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.32
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine 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

butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine
CID 144614432
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
5-N-dibenzothiophen-1-yl-7,7-dimethyl-9-N-(9-methylidenefluoren-4-yl)-9-N-(2-methylphenyl)-5-N-(3-methylphenyl)benzo[c]fluorene-5,9-diamine
CID 163978986
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
5-N,9-N-di(dibenzothiophen-3-yl)-5-N,9-N-bis(2-fluorophenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine
CID 144614256
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
5-N,9-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 155473570
7,7,9-trimethyl-N-[3-methyl-4-[(2Z,4Z)-6-methylhepta-2,4,6-trienyl]phenyl]-N-phenylbenzo[c]fluoren-5-amine
CID 144613777
N-chrysen-6-yl-N-phenyldibenzothiophen-2-amine;9-N,10-N-di(dibenzothiophen-2-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;N-phenyl-N-(10-phenylanthracen-9-yl)dibenzothiophen-2-amine
CID 158523647

Frequently Asked Questions

What is the IUPAC name of 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine?
The IUPAC name of 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine (CID 144614565) is 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine.
What is the SMILES notation for 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine?
The canonical SMILES for 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine is CC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc2sc3ccccc3c2c1.Cc1cccc(N(c2cccc(C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)c1.
What is the InChIKey of 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine?
The InChIKey is CJFJIIDMIPGKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N.C17H18.C13H10S.C2H6/c1-22-10-8-12-25(18-22)35(26-13-9-11-23(2)19-26)32-21-31-33(28-15-7-6-14-27(28)32)29-17-16-24(3)20-30(29)34(31,4)5;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-2/h6-21H,1-5H3;5-11,13H,3-4H2,1-2H3;2-8H,1H3;1-2H3.
What are the key properties of 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine?
2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine has a molecular weight of 904.32 g/mol, XLogP of 19.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine is sourced from PubChem (CID 144614565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).