N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C63H45NS — CID 121321713

IUPACN-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)58-40-50(46-30-28-45(29-31-46)44-26-24-43(25-27-44)42-14-5-3-6-15-42)32-35-54(58)55-36-34-52(41-59(55)63)64(60-22-11-9-20-53(60)47-16-7-4-8-17-47)51-19-13-18-48(38-51)49-33-37-62-57(39-49)56-21-10-12-23-61(56)65-62/h3-41H,1-2H3
InChIKeyHQJXTUHSZDLJHH-UHFFFAOYSA-N
MW848.13 g/mol
LogP18.17
Rot. Bonds8

About N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 121321713) has the molecular formula C63H45NS and a molecular weight of 848.13 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID121321713
Molecular FormulaC63H45NS
Molecular Weight848.13 g/mol
Exact Mass847.33
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45NS/c1-63(2)58-40-50(46-30-28-45(29-31-46)44-26-24-43(25-27-44)42-14-5-3-6-15-42)32-35-54(58)55-36-34-52(41-59(55)63)64(60-22-11-9-20-53(60)47-16-7-4-8-17-47)51-19-13-18-48(38-51)49-33-37-62-57(39-49)56-21-10-12-23-61(56)65-62/h3-41H,1-2H3
InChIKeyHQJXTUHSZDLJHH-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.13
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-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

N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
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-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N,N-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenylaniline;N-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159815958
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 126745975
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 121321713) is N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is HQJXTUHSZDLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NS/c1-63(2)58-40-50(46-30-28-45(29-31-46)44-26-24-43(25-27-44)42-14-5-3-6-15-42)32-35-54(58)55-36-34-52(41-59(55)63)64(60-22-11-9-20-53(60)47-16-7-4-8-17-47)51-19-13-18-48(38-51)49-33-37-62-57(39-49)56-21-10-12-23-61(56)65-62/h3-41H,1-2H3.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 848.13 g/mol, XLogP of 18.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121321713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).