7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine

C51H37NS — CID 171402193

IUPAC7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2c1cc1sc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C51H37NS/c1-51(2)43-31-30-39(32-42(43)49-44(51)33-47-50(41-23-13-15-25-46(41)53-47)48(49)37-20-10-5-11-21-37)52(38-28-26-35(27-29-38)34-16-6-3-7-17-34)45-24-14-12-22-40(45)36-18-8-4-9-19-36/h3-33H,1-2H3
InChIKeyDPKHYEYBZMYLMN-UHFFFAOYSA-N
MW695.93 g/mol
LogP14.83
Rot. Bonds6

About 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine

7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine (PubChem CID 171402193) has the molecular formula C51H37NS and a molecular weight of 695.93 g/mol. Its IUPAC name is 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine.

Molecular Properties

Compound Name7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
PubChem CID171402193
Molecular FormulaC51H37NS
Molecular Weight695.93 g/mol
Exact Mass695.26
IUPAC Name7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2c1cc1sc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C51H37NS/c1-51(2)43-31-30-39(32-42(43)49-44(51)33-47-50(41-23-13-15-25-46(41)53-47)48(49)37-20-10-5-11-21-37)52(38-28-26-35(27-29-38)34-16-6-3-7-17-34)45-24-14-12-22-40(45)36-18-8-4-9-19-36/h3-33H,1-2H3
InChIKeyDPKHYEYBZMYLMN-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171401642
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171402182
N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
CID 171402158
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-12-phenylfluoreno[2,3-b][1]benzothiol-10-amine
CID 171402194
10,10,12,12-tetramethyl-N,5-diphenyl-N-(2-phenylphenyl)indeno[2,1-b]fluoren-7-amine
CID 171402249
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 170044787
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839721
N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 170038101

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The IUPAC name of 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine (CID 171402193) is 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine.
What is the SMILES notation for 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The canonical SMILES for 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2-c2c1cc1sc3ccccc3c1c2-c1ccccc1.
What is the InChIKey of 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The InChIKey is DPKHYEYBZMYLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS/c1-51(2)43-31-30-39(32-42(43)49-44(51)33-47-50(41-23-13-15-25-46(41)53-47)48(49)37-20-10-5-11-21-37)52(38-28-26-35(27-29-38)34-16-6-3-7-17-34)45-24-14-12-22-40(45)36-18-8-4-9-19-36/h3-33H,1-2H3.
What are the key properties of 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine has a molecular weight of 695.93 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine is sourced from PubChem (CID 171402193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).