N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine

C46H35NOS — CID 118081275

IUPACN-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Sc3c(ccc5c3-c3ccccc3C5(C)C)O4)c3cccc4ccccc34)cc21
InChIInChI=1S/C46H35NOS/c1-45(2)35-19-10-8-17-33(35)42-36(45)25-26-41-44(42)49-43-39(21-12-22-40(43)48-41)47(38-20-11-14-28-13-5-6-15-30(28)38)29-23-24-32-31-16-7-9-18-34(31)46(3,4)37(32)27-29/h5-27H,1-4H3
InChIKeyAYUHHRHTMFMXFS-UHFFFAOYSA-N
MW649.86 g/mol
LogP13.18
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine

N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine (PubChem CID 118081275) has the molecular formula C46H35NOS and a molecular weight of 649.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine
PubChem CID118081275
Molecular FormulaC46H35NOS
Molecular Weight649.86 g/mol
Exact Mass649.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Sc3c(ccc5c3-c3ccccc3C5(C)C)O4)c3cccc4ccccc34)cc21
InChIInChI=1S/C46H35NOS/c1-45(2)35-19-10-8-17-33(35)42-36(45)25-26-41-44(42)49-43-39(21-12-22-40(43)48-41)47(38-20-11-14-28-13-5-6-15-30(28)38)29-23-24-32-31-16-7-9-18-34(31)46(3,4)37(32)27-29/h5-27H,1-4H3
InChIKeyAYUHHRHTMFMXFS-UHFFFAOYSA-N
XLogP13.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.86
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine
CID 118081342
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine
CID 118134276
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-1-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656649
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine (CID 118081275) is N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Sc3c(ccc5c3-c3ccccc3C5(C)C)O4)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine?
The InChIKey is AYUHHRHTMFMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NOS/c1-45(2)35-19-10-8-17-33(35)42-36(45)25-26-41-44(42)49-43-39(21-12-22-40(43)48-41)47(38-20-11-14-28-13-5-6-15-30(28)38)29-23-24-32-31-16-7-9-18-34(31)46(3,4)37(32)27-29/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine?
N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine has a molecular weight of 649.86 g/mol, XLogP of 13.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine is sourced from PubChem (CID 118081275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).