N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

C66H49NS — CID 67964495

IUPACN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C66H49NS/c1-65(2)59-38-48(43-16-9-6-10-17-43)24-31-53(59)55-33-29-51(40-61(55)65)67(50-27-22-44(23-28-50)46-19-13-18-45(36-46)42-14-7-5-8-15-42)52-30-34-56-54-32-25-49(39-60(54)66(3,4)62(56)41-52)47-26-35-64-58(37-47)57-20-11-12-21-63(57)68-64/h5-41H,1-4H3
InChIKeyHIWTXLWRQSSBLB-UHFFFAOYSA-N
MW888.19 g/mol
LogP18.80
Rot. Bonds7

About N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 67964495) has the molecular formula C66H49NS and a molecular weight of 888.19 g/mol. Its IUPAC name is N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID67964495
Molecular FormulaC66H49NS
Molecular Weight888.19 g/mol
Exact Mass887.36
IUPAC NameN-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C66H49NS/c1-65(2)59-38-48(43-16-9-6-10-17-43)24-31-53(59)55-33-29-51(40-61(55)65)67(50-27-22-44(23-28-50)46-19-13-18-45(36-46)42-14-7-5-8-15-42)52-30-34-56-54-32-25-49(39-60(54)66(3,4)62(56)41-52)47-26-35-64-58(37-47)57-20-11-12-21-63(57)68-64/h5-41H,1-4H3
InChIKeyHIWTXLWRQSSBLB-UHFFFAOYSA-N
XLogP18.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.19
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 126745975
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
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
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 156549343

Frequently Asked Questions

What is the IUPAC name of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 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) is N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3-4)cc21.
What is the InChIKey of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is HIWTXLWRQSSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49NS/c1-65(2)59-38-48(43-16-9-6-10-17-43)24-31-53(59)55-33-29-51(40-61(55)65)67(50-27-22-44(23-28-50)46-19-13-18-45(36-46)42-14-7-5-8-15-42)52-30-34-56-54-32-25-49(39-60(54)66(3,4)62(56)41-52)47-26-35-64-58(37-47)57-20-11-12-21-63(57)68-64/h5-41H,1-4H3.
What are the key properties of N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 888.19 g/mol, XLogP of 18.80, 7 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-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 67964495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).