N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine

C58H43NS — CID 67964547

IUPACN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)c3cccc4ccccc34)cc21
InChIInChI=1S/C58H43NS/c1-57(2)50-32-39(36-13-6-5-7-14-36)21-26-44(50)46-28-24-41(34-52(46)57)59(54-19-12-16-37-15-8-9-17-43(37)54)42-25-29-47-45-27-22-40(33-51(45)58(3,4)53(47)35-42)38-23-30-56-49(31-38)48-18-10-11-20-55(48)60-56/h5-35H,1-4H3
InChIKeyWUVUYSZHLLQWDK-UHFFFAOYSA-N
MW786.06 g/mol
LogP16.62
Rot. Bonds5

About N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine

N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine (PubChem CID 67964547) has the molecular formula C58H43NS and a molecular weight of 786.06 g/mol. Its IUPAC name is N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
PubChem CID67964547
Molecular FormulaC58H43NS
Molecular Weight786.06 g/mol
Exact Mass785.31
IUPAC NameN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)c3cccc4ccccc34)cc21
InChIInChI=1S/C58H43NS/c1-57(2)50-32-39(36-13-6-5-7-14-36)21-26-44(50)46-28-24-41(34-52(46)57)59(54-19-12-16-37-15-8-9-17-43(37)54)42-25-29-47-45-27-22-40(33-51(45)58(3,4)53(47)35-42)38-23-30-56-49(31-38)48-18-10-11-20-55(48)60-56/h5-35H,1-4H3
InChIKeyWUVUYSZHLLQWDK-UHFFFAOYSA-N
XLogP16.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.06
LogP ≤ 516.62
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
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158200664
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091

Frequently Asked Questions

What is the IUPAC name of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine?
The IUPAC name of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine (CID 67964547) is N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine.
What is the SMILES notation for N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine?
The canonical SMILES for N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine?
The InChIKey is WUVUYSZHLLQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NS/c1-57(2)50-32-39(36-13-6-5-7-14-36)21-26-44(50)46-28-24-41(34-52(46)57)59(54-19-12-16-37-15-8-9-17-43(37)54)42-25-29-47-45-27-22-40(33-51(45)58(3,4)53(47)35-42)38-23-30-56-49(31-38)48-18-10-11-20-55(48)60-56/h5-35H,1-4H3.
What are the key properties of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine?
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine has a molecular weight of 786.06 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine is sourced from PubChem (CID 67964547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).