N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine

C57H43NS — CID 118081266

IUPACN-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cccc2C1(C)c1ccccc1
InChIInChI=1S/C57H43NS/c1-56(2)48-25-13-12-23-47(48)53-49(56)36-37-51-55(53)59-54-46(24-15-26-50(54)57(51,3)42-20-8-5-9-21-42)41-30-34-44(35-31-41)58(52-27-14-19-40-18-10-11-22-45(40)52)43-32-28-39(29-33-43)38-16-6-4-7-17-38/h4-37H,1-3H3
InChIKeyOJTXOHUPZBZVHF-UHFFFAOYSA-N
MW774.05 g/mol
LogP15.77
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine

N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 118081266) has the molecular formula C57H43NS and a molecular weight of 774.05 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
PubChem CID118081266
Molecular FormulaC57H43NS
Molecular Weight774.05 g/mol
Exact Mass773.31
IUPAC NameN-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cccc2C1(C)c1ccccc1
InChIInChI=1S/C57H43NS/c1-56(2)48-25-13-12-23-47(48)53-49(56)36-37-51-55(53)59-54-46(24-15-26-50(54)57(51,3)42-20-8-5-9-21-42)41-30-34-44(35-31-41)58(52-27-14-19-40-18-10-11-22-45(40)52)43-32-28-39(29-33-43)38-16-6-4-7-17-38/h4-37H,1-3H3
InChIKeyOJTXOHUPZBZVHF-UHFFFAOYSA-N
XLogP15.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.05
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157137300
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118081268
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
9,9-dimethyl-N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790541
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine (CID 118081266) is N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2c1ccc1c2Sc2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)cccc2C1(C)c1ccccc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is OJTXOHUPZBZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NS/c1-56(2)48-25-13-12-23-47(48)53-49(56)36-37-51-55(53)59-54-46(24-15-26-50(54)57(51,3)42-20-8-5-9-21-42)41-30-34-44(35-31-41)58(52-27-14-19-40-18-10-11-22-45(40)52)43-32-28-39(29-33-43)38-16-6-4-7-17-38/h4-37H,1-3H3.
What are the key properties of N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine?
N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 774.05 g/mol, XLogP of 15.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 118081266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).