7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine

C43H31NS — CID 146437002

IUPAC7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C43H31NS/c1-43(2)39-25-34(22-23-35(39)37-26-38-36-14-8-9-15-41(36)45-42(38)27-40(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)24-31/h3-27H,1-2H3
InChIKeyMWPMELWLESHMMV-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine

7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine (PubChem CID 146437002) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
PubChem CID146437002
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C43H31NS/c1-43(2)39-25-34(22-23-35(39)37-26-38-36-14-8-9-15-41(36)45-42(38)27-40(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)24-31/h3-27H,1-2H3
InChIKeyMWPMELWLESHMMV-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

Analyze 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine with MolForge

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Related Compounds

7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine?
The IUPAC name of 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine (CID 146437002) is 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine.
What is the SMILES notation for 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine?
The canonical SMILES for 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine?
The InChIKey is MWPMELWLESHMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)39-25-34(22-23-35(39)37-26-38-36-14-8-9-15-41(36)45-42(38)27-40(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)24-31/h3-27H,1-2H3.
What are the key properties of 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine?
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-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 7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine is sourced from PubChem (CID 146437002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).