4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline

C43H31NS — CID 177121677

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)cc21
InChIInChI=1S/C43H31NS/c1-43(2)39-13-6-5-10-35(39)36-24-19-30(26-40(36)43)27-14-20-31(21-15-27)44-32-22-16-29(17-23-32)34-11-7-12-37-38-25-18-28-8-3-4-9-33(28)42(38)45-41(34)37/h3-26,44H,1-2H3
InChIKeyWEYCRLDYHUNPOG-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.59
Rot. Bonds4

About 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline

4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline (PubChem CID 177121677) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
PubChem CID177121677
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)cc21
InChIInChI=1S/C43H31NS/c1-43(2)39-13-6-5-10-35(39)36-24-19-30(26-40(36)43)27-14-20-31(21-15-27)44-32-22-16-29(17-23-32)34-11-7-12-37-38-25-18-28-8-3-4-9-33(28)42(38)45-41(34)37/h3-26,44H,1-2H3
InChIKeyWEYCRLDYHUNPOG-UHFFFAOYSA-N
XLogP12.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
CID 177122369
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
2-(9,9-dimethylfluoren-2-yl)-4-(6-phenyldibenzothiophen-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 118651092
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)aniline
CID 170217739
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine
CID 177121482

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline (CID 177121677) is 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The InChIKey is WEYCRLDYHUNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)39-13-6-5-10-35(39)36-24-19-30(26-40(36)43)27-14-20-31(21-15-27)44-32-22-16-29(17-23-32)34-11-7-12-37-38-25-18-28-8-3-4-9-33(28)42(38)45-41(34)37/h3-26,44H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline has a molecular weight of 593.80 g/mol, XLogP of 12.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline is sourced from PubChem (CID 177121677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).