N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine

C43H33NS — CID 170043689

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)C3C=Cc4c(ccc5sc6ccccc6c45)C3)cccc21
InChIInChI=1S/C43H33NS/c1-43(2)35-18-9-6-16-33(35)42-36(43)19-12-21-38(42)44(37-20-10-7-15-31(37)28-13-4-3-5-14-28)30-24-25-32-29(27-30)23-26-40-41(32)34-17-8-11-22-39(34)45-40/h3-26,30H,27H2,1-2H3
InChIKeyRXUIXOCXXREBSB-UHFFFAOYSA-N
MW595.81 g/mol
LogP11.80
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine

N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine (PubChem CID 170043689) has the molecular formula C43H33NS and a molecular weight of 595.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine
PubChem CID170043689
Molecular FormulaC43H33NS
Molecular Weight595.81 g/mol
Exact Mass595.23
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)C3C=Cc4c(ccc5sc6ccccc6c45)C3)cccc21
InChIInChI=1S/C43H33NS/c1-43(2)35-18-9-6-16-33(35)42-36(43)19-12-21-38(42)44(37-20-10-7-15-31(37)28-13-4-3-5-14-28)30-24-25-32-29(27-30)23-26-40-41(32)34-17-8-11-22-39(34)45-40/h3-26,30H,27H2,1-2H3
InChIKeyRXUIXOCXXREBSB-UHFFFAOYSA-N
XLogP11.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.81
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)dibenzothiophen-3-amine
CID 170044876
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 170044787
N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 118888356
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081
N-(2-dibenzothiophen-1-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143121
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-4-amine
CID 168807524
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170043602
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-(4-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[2-(8-phenyl-7,8-dihydronaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302329
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N,N-bis(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-5-amine
CID 170044977

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine (CID 170043689) is N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)C3C=Cc4c(ccc5sc6ccccc6c45)C3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine?
The InChIKey is RXUIXOCXXREBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NS/c1-43(2)35-18-9-6-16-33(35)42-36(43)19-12-21-38(42)44(37-20-10-7-15-31(37)28-13-4-3-5-14-28)30-24-25-32-29(27-30)23-26-40-41(32)34-17-8-11-22-39(34)45-40/h3-26,30H,27H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine has a molecular weight of 595.81 g/mol, XLogP of 11.80, 4 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-(2-phenylphenyl)-3,4-dihydronaphtho[2,1-b][1]benzothiol-3-amine is sourced from PubChem (CID 170043689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).