N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine

C51H37NS — CID 140919518

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc21
InChIInChI=1S/C51H37NS/c1-51(2)45-24-14-12-22-40(45)41-28-27-39(33-46(41)51)52(47-29-26-37(34-16-6-3-7-17-34)30-43(47)36-20-10-5-11-21-36)48-32-38(35-18-8-4-9-19-35)31-44-42-23-13-15-25-49(42)53-50(44)48/h3-33H,1-2H3
InChIKeyNYZZPGHXMBIFJX-UHFFFAOYSA-N
MW695.93 g/mol
LogP14.83
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine (PubChem CID 140919518) has the molecular formula C51H37NS and a molecular weight of 695.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine
PubChem CID140919518
Molecular FormulaC51H37NS
Molecular Weight695.93 g/mol
Exact Mass695.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc21
InChIInChI=1S/C51H37NS/c1-51(2)45-24-14-12-22-40(45)41-28-27-39(33-46(41)51)52(47-29-26-37(34-16-6-3-7-17-34)30-43(47)36-20-10-5-11-21-36)48-32-38(35-18-8-4-9-19-35)31-44-42-23-13-15-25-49(42)53-50(44)48/h3-33H,1-2H3
InChIKeyNYZZPGHXMBIFJX-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-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-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-naphthalen-2-yldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-phenyldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 159884801
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
CID 160590629
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
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-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-(3,4-diphenylphenyl)triphenylen-2-amine
CID 177294573
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine (CID 140919518) is N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine?
The InChIKey is NYZZPGHXMBIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS/c1-51(2)45-24-14-12-22-40(45)41-28-27-39(33-46(41)51)52(47-29-26-37(34-16-6-3-7-17-34)30-43(47)36-20-10-5-11-21-36)48-32-38(35-18-8-4-9-19-35)31-44-42-23-13-15-25-49(42)53-50(44)48/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine has a molecular weight of 695.93 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 140919518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).