N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine

C46H35NS — CID 166028578

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4c3sc3ccccc34)cc21
InChIInChI=1S/C46H35NS/c1-45(2)36-20-11-8-17-33(36)43-37(45)21-13-22-39(43)47(29-24-25-32-31-16-7-10-19-35(31)46(3,4)38(32)27-29)40-26-28-14-5-6-15-30(28)42-34-18-9-12-23-41(34)48-44(40)42/h5-27H,1-4H3
InChIKeyKFMFXPOBEOSJMT-UHFFFAOYSA-N
MW633.86 g/mol
LogP13.29
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine (PubChem CID 166028578) has the molecular formula C46H35NS and a molecular weight of 633.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
PubChem CID166028578
Molecular FormulaC46H35NS
Molecular Weight633.86 g/mol
Exact Mass633.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4c3sc3ccccc34)cc21
InChIInChI=1S/C46H35NS/c1-45(2)36-20-11-8-17-33(36)43-37(45)21-13-22-39(43)47(29-24-25-32-31-16-7-10-19-35(31)46(3,4)38(32)27-29)40-26-28-14-5-6-15-30(28)42-34-18-9-12-23-41(34)48-44(40)42/h5-27H,1-4H3
InChIKeyKFMFXPOBEOSJMT-UHFFFAOYSA-N
XLogP13.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.86
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine with MolForge

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Related Compounds

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444456
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929149
N-benzo[c]phenanthren-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 167184479
N-[3-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444423
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444444
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170043602
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399
N-(9,9-dimethylfluoren-2-yl)-N-[1-(4-naphthalen-1-ylphenyl)triphenylen-2-yl]dibenzothiophen-4-amine
CID 177294684
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine (CID 166028578) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4c3sc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The InChIKey is KFMFXPOBEOSJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NS/c1-45(2)36-20-11-8-17-33(36)43-37(45)21-13-22-39(43)47(29-24-25-32-31-16-7-10-19-35(31)46(3,4)38(32)27-29)40-26-28-14-5-6-15-30(28)42-34-18-9-12-23-41(34)48-44(40)42/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine has a molecular weight of 633.86 g/mol, XLogP of 13.29, 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-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine is sourced from PubChem (CID 166028578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).