N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine

C60H44N2S — CID 170652816

IUPACN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc(C4=Cc5ccccc5NC4c4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C60H44N2S/c1-60(2)54-27-11-9-22-48(54)49-35-34-45(38-55(49)60)62(43-32-30-40(31-33-43)47-25-15-26-52-50-23-10-13-29-57(50)63-59(47)52)44-20-14-19-41(36-44)53-37-42-18-6-12-28-56(42)61-58(53)51-24-8-7-21-46(51)39-16-4-3-5-17-39/h3-38,58,61H,1-2H3
InChIKeyXYPFDJIXNFICSG-UHFFFAOYSA-N
MW825.09 g/mol
LogP16.87
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine (PubChem CID 170652816) has the molecular formula C60H44N2S and a molecular weight of 825.09 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine
PubChem CID170652816
Molecular FormulaC60H44N2S
Molecular Weight825.09 g/mol
Exact Mass824.32
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc(C4=Cc5ccccc5NC4c4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C60H44N2S/c1-60(2)54-27-11-9-22-48(54)49-35-34-45(38-55(49)60)62(43-32-30-40(31-33-43)47-25-15-26-52-50-23-10-13-29-57(50)63-59(47)52)44-20-14-19-41(36-44)53-37-42-18-6-12-28-56(42)61-58(53)51-24-8-7-21-46(51)39-16-4-3-5-17-39/h3-38,58,61H,1-2H3
InChIKeyXYPFDJIXNFICSG-UHFFFAOYSA-N
XLogP16.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.09
LogP ≤ 516.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenyl-1,2-dihydroquinolin-2-yl)fluoren-4-amine
CID 170652957
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895
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-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-amine
CID 167177573

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine (CID 170652816) is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc(C4=Cc5ccccc5NC4c4ccccc4-c4ccccc4)c3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine?
The InChIKey is XYPFDJIXNFICSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2S/c1-60(2)54-27-11-9-22-48(54)49-35-34-45(38-55(49)60)62(43-32-30-40(31-33-43)47-25-15-26-52-50-23-10-13-29-57(50)63-59(47)52)44-20-14-19-41(36-44)53-37-42-18-6-12-28-56(42)61-58(53)51-24-8-7-21-46(51)39-16-4-3-5-17-39/h3-38,58,61H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine has a molecular weight of 825.09 g/mol, XLogP of 16.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[3-[2-(2-phenylphenyl)-1,2-dihydroquinolin-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170652816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).