N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine

C37H27NS — CID 146295016

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4ccc5sc6ccccc6c5c34)cc21
InChIInChI=1S/C37H27NS/c1-37(2)30-16-8-6-14-27(30)28-21-20-26(23-31(28)37)38(25-12-4-3-5-13-25)32-17-10-11-24-19-22-34-36(35(24)32)29-15-7-9-18-33(29)39-34/h3-23H,1-2H3
InChIKeyLEMUVFYMECRDCW-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.98
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine (PubChem CID 146295016) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
PubChem CID146295016
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4ccc5sc6ccccc6c5c34)cc21
InChIInChI=1S/C37H27NS/c1-37(2)30-16-8-6-14-27(30)28-21-20-26(23-31(28)37)38(25-12-4-3-5-13-25)32-17-10-11-24-19-22-34-36(35(24)32)29-15-7-9-18-33(29)39-34/h3-23H,1-2H3
InChIKeyLEMUVFYMECRDCW-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807300
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807521
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170043602
N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043531
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929149
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170044165
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043418
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine (CID 146295016) is N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4ccc5sc6ccccc6c5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine?
The InChIKey is LEMUVFYMECRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)30-16-8-6-14-27(30)28-21-20-26(23-31(28)37)38(25-12-4-3-5-13-25)32-17-10-11-24-19-22-34-36(35(24)32)29-15-7-9-18-33(29)39-34/h3-23H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine has a molecular weight of 517.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine is sourced from PubChem (CID 146295016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).