N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine

C55H36N2S — CID 121424390

IUPACN-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C55H36N2S/c1-3-17-37(18-4-1)55(38-19-5-2-6-20-38)47-27-11-7-26-45(47)54-48(55)28-16-31-51(54)56(41-33-34-53-46(36-41)44-25-10-14-32-52(44)58-53)39-21-15-22-40(35-39)57-49-29-12-8-23-42(49)43-24-9-13-30-50(43)57/h1-36H
InChIKeyWFLPGISJVSFDPG-UHFFFAOYSA-N
MW756.97 g/mol
LogP14.98
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine

N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine (PubChem CID 121424390) has the molecular formula C55H36N2S and a molecular weight of 756.97 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
PubChem CID121424390
Molecular FormulaC55H36N2S
Molecular Weight756.97 g/mol
Exact Mass756.26
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C55H36N2S/c1-3-17-37(18-4-1)55(38-19-5-2-6-20-38)47-27-11-7-26-45(47)54-48(55)28-16-31-51(54)56(41-33-34-53-46(36-41)44-25-10-14-32-52(44)58-53)39-21-15-22-40(35-39)57-49-29-12-8-23-42(49)43-24-9-13-30-50(43)57/h1-36H
InChIKeyWFLPGISJVSFDPG-UHFFFAOYSA-N
XLogP14.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.97
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424239
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424581
N-(9,9-diphenylfluoren-4-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790489
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine (CID 121424390) is N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cccc32)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine?
The InChIKey is WFLPGISJVSFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S/c1-3-17-37(18-4-1)55(38-19-5-2-6-20-38)47-27-11-7-26-45(47)54-48(55)28-16-31-51(54)56(41-33-34-53-46(36-41)44-25-10-14-32-52(44)58-53)39-21-15-22-40(35-39)57-49-29-12-8-23-42(49)43-24-9-13-30-50(43)57/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine?
N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine has a molecular weight of 756.97 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 121424390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).