N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine

C43H31NS — CID 166028610

IUPACN-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc5ccccc5c34)c21
InChIInChI=1S/C43H31NS/c1-43(2)36-19-9-8-16-33(36)34-17-10-20-37(41(34)43)44(31-25-22-29(23-26-31)28-12-4-3-5-13-28)38-21-11-18-35-40-32-15-7-6-14-30(32)24-27-39(40)45-42(35)38/h3-27H,1-2H3
InChIKeyGZKNGWWIUGXQPL-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine

N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine (PubChem CID 166028610) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
PubChem CID166028610
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc5ccccc5c34)c21
InChIInChI=1S/C43H31NS/c1-43(2)36-19-9-8-16-33(36)34-17-10-20-37(41(34)43)44(31-25-22-29(23-26-31)28-12-4-3-5-13-28)38-21-11-18-35-40-32-15-7-6-14-30(32)24-27-39(40)45-42(35)38/h3-27H,1-2H3
InChIKeyGZKNGWWIUGXQPL-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 169285367
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 170043862
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine
CID 146437091
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730535
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730539
N-phenanthren-3-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170038880
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170044096
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 168809293
N-(3-dibenzothiophen-1-yl-2-phenylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine
CID 170665787

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine (CID 166028610) is N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccc5ccccc5c34)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine?
The InChIKey is GZKNGWWIUGXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)36-19-9-8-16-33(36)34-17-10-20-37(41(34)43)44(31-25-22-29(23-26-31)28-12-4-3-5-13-28)38-21-11-18-35-40-32-15-7-6-14-30(32)24-27-39(40)45-42(35)38/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine?
N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine has a molecular weight of 593.80 g/mol, XLogP of 12.65, 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-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine is sourced from PubChem (CID 166028610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).