N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine

C37H27NS — CID 170044165

IUPACN-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)sc3ccc5ccccc5c34)cccc21
InChIInChI=1S/C37H27NS/c1-37(2)30-16-9-8-15-28(30)36-31(37)17-10-18-32(36)38(25-12-4-3-5-13-25)26-20-21-29-34(23-26)39-33-22-19-24-11-6-7-14-27(24)35(29)33/h3-23H,1-2H3
InChIKeyBILXBXLDZCPXKB-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.98
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine

N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine (PubChem CID 170044165) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
PubChem CID170044165
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)sc3ccc5ccccc5c34)cccc21
InChIInChI=1S/C37H27NS/c1-37(2)30-16-9-8-15-28(30)36-31(37)17-10-18-32(36)38(25-12-4-3-5-13-25)26-20-21-29-34(23-26)39-33-22-19-24-11-6-7-14-27(24)35(29)33/h3-23H,1-2H3
InChIKeyBILXBXLDZCPXKB-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

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170044310
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170043602
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043085
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043087
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)dibenzothiophen-3-amine
CID 170044876
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-benzo[c]phenanthren-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 167184479
N-(4-chrysen-5-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170140279
N-benzo[g]phenanthren-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-amine
CID 167184480
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine (CID 170044165) is N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)sc3ccc5ccccc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The InChIKey is BILXBXLDZCPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)30-16-9-8-15-28(30)36-31(37)17-10-18-32(36)38(25-12-4-3-5-13-25)26-20-21-29-34(23-26)39-33-22-19-24-11-6-7-14-27(24)35(29)33/h3-23H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-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-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine is sourced from PubChem (CID 170044165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).