N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine

C51H35NS — CID 164774642

IUPACN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H35NS/c1-51(2)43-30-36-16-6-5-15-35(36)29-42(43)40-26-25-38(31-44(40)51)52(45-19-11-21-48-50(45)41-18-9-10-20-47(41)53-48)46-27-24-33-13-7-8-17-39(33)49(46)37-23-22-32-12-3-4-14-34(32)28-37/h3-31H,1-2H3
InChIKeyNAXPJAKFYIYKAV-UHFFFAOYSA-N
MW693.92 g/mol
LogP14.96
Rot. Bonds4

About N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine

N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine (PubChem CID 164774642) has the molecular formula C51H35NS and a molecular weight of 693.92 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
PubChem CID164774642
Molecular FormulaC51H35NS
Molecular Weight693.92 g/mol
Exact Mass693.25
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H35NS/c1-51(2)43-30-36-16-6-5-15-35(36)29-42(43)40-26-25-38(31-44(40)51)52(45-19-11-21-48-50(45)41-18-9-10-20-47(41)53-48)46-27-24-33-13-7-8-17-39(33)49(46)37-23-22-32-12-3-4-14-34(32)28-37/h3-31H,1-2H3
InChIKeyNAXPJAKFYIYKAV-UHFFFAOYSA-N
XLogP14.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.92
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine with MolForge

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Related Compounds

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774904
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-1-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802208
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177281437
N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774702
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
CID 177281133
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774397
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
CID 156522425

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine (CID 164774642) is N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine is CC1(C)c2cc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The InChIKey is NAXPJAKFYIYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NS/c1-51(2)43-30-36-16-6-5-15-35(36)29-42(43)40-26-25-38(31-44(40)51)52(45-19-11-21-48-50(45)41-18-9-10-20-47(41)53-48)46-27-24-33-13-7-8-17-39(33)49(46)37-23-22-32-12-3-4-14-34(32)28-37/h3-31H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine has a molecular weight of 693.92 g/mol, XLogP of 14.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 164774642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).