N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C57H43NS — CID 166898690

IUPACN-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C57H43NS/c1-57(2)53-24-14-12-22-49(53)50-36-35-46(39-54(50)57)58(44-31-26-41(27-32-44)40-16-6-3-7-17-40)45-33-28-42(29-34-45)43-30-37-56-52(38-43)51-23-13-15-25-55(51)59(56,47-18-8-4-9-19-47)48-20-10-5-11-21-48/h3-39H,1-2H3
InChIKeyHGZDBSKDEIYXJU-UHFFFAOYSA-N
MW774.05 g/mol
LogP16.12
Rot. Bonds7

About N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166898690) has the molecular formula C57H43NS and a molecular weight of 774.05 g/mol. Its IUPAC name is N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166898690
Molecular FormulaC57H43NS
Molecular Weight774.05 g/mol
Exact Mass773.31
IUPAC NameN-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C57H43NS/c1-57(2)53-24-14-12-22-49(53)50-36-35-46(39-54(50)57)58(44-31-26-41(27-32-44)40-16-6-3-7-17-40)45-33-28-42(29-34-45)43-30-37-56-52(38-43)51-23-13-15-25-55(51)59(56,47-18-8-4-9-19-47)48-20-10-5-11-21-48/h3-39H,1-2H3
InChIKeyHGZDBSKDEIYXJU-UHFFFAOYSA-N
XLogP16.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.05
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 166898690) is N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is HGZDBSKDEIYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NS/c1-57(2)53-24-14-12-22-49(53)50-36-35-46(39-54(50)57)58(44-31-26-41(27-32-44)40-16-6-3-7-17-40)45-33-28-42(29-34-45)43-30-37-56-52(38-43)51-23-13-15-25-55(51)59(56,47-18-8-4-9-19-47)48-20-10-5-11-21-48/h3-39H,1-2H3.
What are the key properties of N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 774.05 g/mol, XLogP of 16.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166898690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).