N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

C49H35NS — CID 156522503

IUPACN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)41-31-37(26-27-44(41)49)50(36-24-20-33(21-25-36)32-12-4-3-5-13-32)45-28-22-34-14-6-7-15-38(34)48(45)35-23-29-47-42(30-35)40-17-9-11-19-46(40)51-47/h3-31H,1-2H3
InChIKeyNTBWOOVUEGTADT-UHFFFAOYSA-N
MW669.89 g/mol
LogP14.32
Rot. Bonds5

About N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 156522503) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID156522503
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)ccc21
InChIInChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)41-31-37(26-27-44(41)49)50(36-24-20-33(21-25-36)32-12-4-3-5-13-32)45-28-22-34-14-6-7-15-38(34)48(45)35-23-29-47-42(30-35)40-17-9-11-19-46(40)51-47/h3-31H,1-2H3
InChIKeyNTBWOOVUEGTADT-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-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-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-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
CID 156522425
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168802427
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 163846166
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-3-amine
CID 170042855
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802173
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (CID 156522503) is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)ccc21.
What is the InChIKey of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is NTBWOOVUEGTADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)41-31-37(26-27-44(41)49)50(36-24-20-33(21-25-36)32-12-4-3-5-13-32)45-28-22-34-14-6-7-15-38(34)48(45)35-23-29-47-42(30-35)40-17-9-11-19-46(40)51-47/h3-31H,1-2H3.
What are the key properties of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-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-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 156522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).