N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine

C51H35NS — CID 163846166

IUPACN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H35NS/c1-51(2)45-25-23-36(30-43(45)42-28-34-14-3-4-15-35(34)29-46(42)51)52(37-24-27-49-44(31-37)40-19-9-10-21-48(40)53-49)47-26-22-33-13-6-8-18-39(33)50(47)41-20-11-16-32-12-5-7-17-38(32)41/h3-31H,1-2H3
InChIKeyOQIWOQHVHVICJR-UHFFFAOYSA-N
MW693.92 g/mol
LogP14.96
Rot. Bonds4

About N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine

N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine (PubChem CID 163846166) has the molecular formula C51H35NS and a molecular weight of 693.92 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
PubChem CID163846166
Molecular FormulaC51H35NS
Molecular Weight693.92 g/mol
Exact Mass693.25
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H35NS/c1-51(2)45-25-23-36(30-43(45)42-28-34-14-3-4-15-35(34)29-46(42)51)52(37-24-27-49-44(31-37)40-19-9-10-21-48(40)53-49)47-26-22-33-13-6-8-18-39(33)50(47)41-20-11-16-32-12-5-7-17-38(32)41/h3-31H,1-2H3
InChIKeyOQIWOQHVHVICJR-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-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine with MolForge

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Related Compounds

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
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-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-1-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802208
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 164774440
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168801945
8-tert-butyl-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-spiro[benzo[b]fluorene-11,9'-fluorene]-3-yldibenzothiophen-3-amine
CID 168801844
22,22-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 130213425
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine;N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-4-amine
CID 165108975
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774822

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine (CID 163846166) is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine is CC1(C)c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine?
The InChIKey is OQIWOQHVHVICJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NS/c1-51(2)45-25-23-36(30-43(45)42-28-34-14-3-4-15-35(34)29-46(42)51)52(37-24-27-49-44(31-37)40-19-9-10-21-48(40)53-49)47-26-22-33-13-6-8-18-39(33)50(47)41-20-11-16-32-12-5-7-17-38(32)41/h3-31H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine?
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-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-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 163846166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).