N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine

C49H35NS — CID 172544754

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc4c3sc3ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C49H35NS/c1-49(2)41-21-10-8-19-39(41)47-42(49)22-13-24-44(47)50(43-23-11-9-18-37(43)36-27-26-33-16-6-7-17-34(33)30-36)45-25-12-20-38-40-31-35(32-14-4-3-5-15-32)28-29-46(40)51-48(38)45/h3-31H,1-2H3
InChIKeyZNBZDDJHPKJGGD-UHFFFAOYSA-N
MW669.89 g/mol
LogP14.32
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine

N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine (PubChem CID 172544754) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
PubChem CID172544754
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc4c3sc3ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C49H35NS/c1-49(2)41-21-10-8-19-39(41)47-42(49)22-13-24-44(47)50(43-23-11-9-18-37(43)36-27-26-33-16-6-7-17-34(33)30-36)45-25-12-20-38-40-31-35(32-14-4-3-5-15-32)28-29-46(40)51-48(38)45/h3-31H,1-2H3
InChIKeyZNBZDDJHPKJGGD-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.89
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-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-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163480005
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170135024

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine (CID 172544754) is N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccc4ccccc4c3)c3cccc4c3sc3ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The InChIKey is ZNBZDDJHPKJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS/c1-49(2)41-21-10-8-19-39(41)47-42(49)22-13-24-44(47)50(43-23-11-9-18-37(43)36-27-26-33-16-6-7-17-34(33)30-36)45-25-12-20-38-40-31-35(32-14-4-3-5-15-32)28-29-46(40)51-48(38)45/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine has a molecular weight of 669.89 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 172544754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).