N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

C55H45NS — CID 156827507

IUPACN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)42-23-30-46-48-33-40(21-31-50(48)55(4,5)51(46)35-42)38-17-26-44(27-18-38)56(43-24-15-37(16-25-43)36-11-7-6-8-12-36)45-28-19-39(20-29-45)41-22-32-53-49(34-41)47-13-9-10-14-52(47)57-53/h6-35H,1-5H3
InChIKeyJXVPWUODTIRKCX-UHFFFAOYSA-N
MW752.04 g/mol
LogP16.13
Rot. Bonds6

About N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline

N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (PubChem CID 156827507) has the molecular formula C55H45NS and a molecular weight of 752.04 g/mol. Its IUPAC name is N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
PubChem CID156827507
Molecular FormulaC55H45NS
Molecular Weight752.04 g/mol
Exact Mass751.33
IUPAC NameN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc1-2
InChIInChI=1S/C55H45NS/c1-54(2,3)42-23-30-46-48-33-40(21-31-50(48)55(4,5)51(46)35-42)38-17-26-44(27-18-38)56(43-24-15-37(16-25-43)36-11-7-6-8-12-36)45-28-19-39(20-29-45)41-22-32-53-49(34-41)47-13-9-10-14-52(47)57-53/h6-35H,1-5H3
InChIKeyJXVPWUODTIRKCX-UHFFFAOYSA-N
XLogP16.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.04
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline 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

7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
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)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-4-phenylaniline
CID 122493609
N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781264

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline (CID 156827507) is N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc1-2.
What is the InChIKey of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
The InChIKey is JXVPWUODTIRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NS/c1-54(2,3)42-23-30-46-48-33-40(21-31-50(48)55(4,5)51(46)35-42)38-17-26-44(27-18-38)56(43-24-15-37(16-25-43)36-11-7-6-8-12-36)45-28-19-39(20-29-45)41-22-32-53-49(34-41)47-13-9-10-14-52(47)57-53/h6-35H,1-5H3.
What are the key properties of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline?
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline has a molecular weight of 752.04 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 156827507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).