N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine

C49H33NS — CID 166135046

IUPACN-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2N(c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C49H33NS/c1-4-17-33(18-5-1)38-25-12-14-27-43(38)50(44-28-16-30-46-48(44)39-26-13-15-29-45(39)51-46)49-42-31-36-23-10-11-24-37(36)41(42)32-40(34-19-6-2-7-20-34)47(49)35-21-8-3-9-22-35/h1-30,32H,31H2
InChIKeyKEDBIPKRIGOCNS-UHFFFAOYSA-N
MW667.88 g/mol
LogP14.10
Rot. Bonds6

About N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine

N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 166135046) has the molecular formula C49H33NS and a molecular weight of 667.88 g/mol. Its IUPAC name is N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID166135046
Molecular FormulaC49H33NS
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC NameN-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2N(c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C49H33NS/c1-4-17-33(18-5-1)38-25-12-14-27-43(38)50(44-28-16-30-46-48(44)39-26-13-15-29-45(39)51-46)49-42-31-36-23-10-11-24-37(36)41(42)32-40(34-19-6-2-7-20-34)47(49)35-21-8-3-9-22-35/h1-30,32H,31H2
InChIKeyKEDBIPKRIGOCNS-UHFFFAOYSA-N
XLogP14.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168791054
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 169061858
N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170038276
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine (CID 166135046) is N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccccc2N(c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is KEDBIPKRIGOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NS/c1-4-17-33(18-5-1)38-25-12-14-27-43(38)50(44-28-16-30-46-48(44)39-26-13-15-29-45(39)51-46)49-42-31-36-23-10-11-24-37(36)41(42)32-40(34-19-6-2-7-20-34)47(49)35-21-8-3-9-22-35/h1-30,32H,31H2.
What are the key properties of N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine?
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 667.88 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 166135046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).