N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine

C49H35NS — CID 170665787

IUPACN-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccccc3)c3cccc4ccccc34)c21
InChIInChI=1S/C49H35NS/c1-49(2)40-26-10-8-21-35(40)38-25-14-29-43(48(38)49)50(41-27-12-19-32-16-6-7-20-34(32)41)42-28-13-23-36(46(42)33-17-4-3-5-18-33)37-24-15-31-45-47(37)39-22-9-11-30-44(39)51-45/h3-31H,1-2H3
InChIKeyOKYYCPKBEYLEMW-UHFFFAOYSA-N
MW669.89 g/mol
LogP14.32
Rot. Bonds5

About N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine

N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine (PubChem CID 170665787) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
PubChem CID170665787
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC NameN-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccccc3)c3cccc4ccccc34)c21
InChIInChI=1S/C49H35NS/c1-49(2)40-26-10-8-21-35(40)38-25-14-29-43(48(38)49)50(41-27-12-19-32-16-6-7-20-34(32)41)42-28-13-23-36(46(42)33-17-4-3-5-18-33)37-24-15-31-45-47(37)39-22-9-11-30-44(39)51-45/h3-31H,1-2H3
InChIKeyOKYYCPKBEYLEMW-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-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine with MolForge

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801
N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 166028610
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenanthren-1-yldibenzothiophen-1-amine
CID 170138268
N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
CID 170666105
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine?
The IUPAC name of N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine (CID 170665787) is N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccccc3)c3cccc4ccccc34)c21.
What is the InChIKey of N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine?
The InChIKey is OKYYCPKBEYLEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS/c1-49(2)40-26-10-8-21-35(40)38-25-14-29-43(48(38)49)50(41-27-12-19-32-16-6-7-20-34(32)41)42-28-13-23-36(46(42)33-17-4-3-5-18-33)37-24-15-31-45-47(37)39-22-9-11-30-44(39)51-45/h3-31H,1-2H3.
What are the key properties of N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine?
N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-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-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine is sourced from PubChem (CID 170665787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).