N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine

C57H47NS2 — CID 174328248

IUPACN-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
SMILESCS1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4sc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)ccc21
InChIInChI=1S/C57H47NS2/c1-60(2)54-27-14-11-22-46(54)47-36-43(33-35-55(47)60)58(41-30-28-39(29-31-41)38-16-5-3-6-17-38)42-32-34-52-48(37-42)56-51(25-15-26-53(56)59-52)57(40-18-7-4-8-19-40)49-23-12-9-20-44(49)45-21-10-13-24-50(45)57/h4,7-15,18-38H,3,5-6,16-17H2,1-2H3
InChIKeyRSAKUODEANPCSJ-UHFFFAOYSA-N
MW810.14 g/mol
LogP16.40
Rot. Bonds6

About N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine

N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine (PubChem CID 174328248) has the molecular formula C57H47NS2 and a molecular weight of 810.14 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
PubChem CID174328248
Molecular FormulaC57H47NS2
Molecular Weight810.14 g/mol
Exact Mass809.31
IUPAC NameN-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
SMILESCS1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4sc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)ccc21
InChIInChI=1S/C57H47NS2/c1-60(2)54-27-14-11-22-46(54)47-36-43(33-35-55(47)60)58(41-30-28-39(29-31-41)38-16-5-3-6-17-38)42-32-34-52-48(37-42)56-51(25-15-26-53(56)59-52)57(40-18-7-4-8-19-40)49-23-12-9-20-44(49)45-21-10-13-24-50(45)57/h4,7-15,18-38H,3,5-6,16-17H2,1-2H3
InChIKeyRSAKUODEANPCSJ-UHFFFAOYSA-N
XLogP16.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.14
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059
N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
CID 176624734
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-3-amine
CID 174255023
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
8-N,23-N-bis(4-cyclohexylphenyl)-28,28-dimethyl-8-N,23-N-diphenyl-13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155359863

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine (CID 174328248) is N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine is CS1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4sc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)ccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine?
The InChIKey is RSAKUODEANPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47NS2/c1-60(2)54-27-14-11-22-46(54)47-36-43(33-35-55(47)60)58(41-30-28-39(29-31-41)38-16-5-3-6-17-38)42-32-34-52-48(37-42)56-51(25-15-26-53(56)59-52)57(40-18-7-4-8-19-40)49-23-12-9-20-44(49)45-21-10-13-24-50(45)57/h4,7-15,18-38H,3,5-6,16-17H2,1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine?
N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine has a molecular weight of 810.14 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 174328248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).