N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine

C57H41NS — CID 70808776

IUPACN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C57H41NS/c1-57(2)53-35-42(38-14-6-3-7-15-38)24-29-49(53)50-30-27-47(36-54(50)57)58(48-28-31-52-51-20-12-13-21-55(51)59-56(52)37-48)46-25-22-41(23-26-46)45-33-43(39-16-8-4-9-17-39)32-44(34-45)40-18-10-5-11-19-40/h3-37H,1-2H3
InChIKeySWQJKWVMPBEZAG-UHFFFAOYSA-N
MW772.03 g/mol
LogP16.50
Rot. Bonds7

About N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine

N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 70808776) has the molecular formula C57H41NS and a molecular weight of 772.03 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID70808776
Molecular FormulaC57H41NS
Molecular Weight772.03 g/mol
Exact Mass771.30
IUPAC NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C57H41NS/c1-57(2)53-35-42(38-14-6-3-7-15-38)24-29-49(53)50-30-27-47(36-54(50)57)58(48-28-31-52-51-20-12-13-21-55(51)59-56(52)37-48)46-25-22-41(23-26-46)45-33-43(39-16-8-4-9-17-39)32-44(34-45)40-18-10-5-11-19-40/h3-37H,1-2H3
InChIKeySWQJKWVMPBEZAG-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.03
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 156549343
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
CID 146588933

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine (CID 70808776) is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)sc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is SWQJKWVMPBEZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NS/c1-57(2)53-35-42(38-14-6-3-7-15-38)24-29-49(53)50-30-27-47(36-54(50)57)58(48-28-31-52-51-20-12-13-21-55(51)59-56(52)37-48)46-25-22-41(23-26-46)45-33-43(39-16-8-4-9-17-39)32-44(34-45)40-18-10-5-11-19-40/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 772.03 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 70808776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).