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

C47H33NS — CID 156522498

IUPACN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C47H33NS/c1-47(2)41-17-9-7-15-37(41)38-24-23-35(29-42(38)47)48(34-22-19-30-11-3-4-13-32(30)27-34)43-25-20-31-12-5-6-14-36(31)46(43)33-21-26-45-40(28-33)39-16-8-10-18-44(39)49-45/h3-29H,1-2H3
InChIKeyBAUJPSGDROVMCP-UHFFFAOYSA-N
MW643.86 g/mol
LogP13.80
Rot. Bonds4

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

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (PubChem CID 156522498) has the molecular formula C47H33NS and a molecular weight of 643.86 g/mol. Its IUPAC name is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.

Molecular Properties

Compound NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
PubChem CID156522498
Molecular FormulaC47H33NS
Molecular Weight643.86 g/mol
Exact Mass643.23
IUPAC NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C47H33NS/c1-47(2)41-17-9-7-15-37(41)38-24-23-35(29-42(38)47)48(34-22-19-30-11-3-4-13-32(30)27-34)43-25-20-31-12-5-6-14-36(31)46(43)33-21-26-45-40(28-33)39-16-8-10-18-44(39)49-45/h3-29H,1-2H3
InChIKeyBAUJPSGDROVMCP-UHFFFAOYSA-N
XLogP13.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine with MolForge

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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-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177281437
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
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)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
CID 177281133
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 163846166
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-10-amine
CID 164799880

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (CID 156522498) is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.
What is the SMILES notation for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The canonical SMILES for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The InChIKey is BAUJPSGDROVMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS/c1-47(2)41-17-9-7-15-37(41)38-24-23-35(29-42(38)47)48(34-22-19-30-11-3-4-13-32(30)27-34)43-25-20-31-12-5-6-14-36(31)46(43)33-21-26-45-40(28-33)39-16-8-10-18-44(39)49-45/h3-29H,1-2H3.
What are the key properties of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine has a molecular weight of 643.86 g/mol, XLogP of 13.80, 4 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-naphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 156522498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).