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

C61H40N2S — CID 90371969

IUPAC9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-45(37-35-42)62(46-38-39-48-47-24-10-13-28-52(47)61(53(48)40-46,43-20-6-2-7-21-43)44-22-8-3-9-23-44)57-32-16-27-51-59-56(31-17-33-58(59)64-60(51)57)63-54-29-14-11-25-49(54)50-26-12-15-30-55(50)63/h1-40H
InChIKeyPPKKWDZDYNJYSL-UHFFFAOYSA-N
MW833.07 g/mol
LogP16.65
Rot. Bonds7

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

9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 90371969) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID90371969
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC Name9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-45(37-35-42)62(46-38-39-48-47-24-10-13-28-52(47)61(53(48)40-46,43-20-6-2-7-21-43)44-22-8-3-9-23-44)57-32-16-27-51-59-56(31-17-33-58(59)64-60(51)57)63-54-29-14-11-25-49(54)50-26-12-15-30-55(50)63/h1-40H
InChIKeyPPKKWDZDYNJYSL-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118086604
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834
9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene
CID 144687649
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166419
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166473
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;2-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160787595

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 90371969) is 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1.
What is the InChIKey of 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is PPKKWDZDYNJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-45(37-35-42)62(46-38-39-48-47-24-10-13-28-52(47)61(53(48)40-46,43-20-6-2-7-21-43)44-22-8-3-9-23-44)57-32-16-27-51-59-56(31-17-33-58(59)64-60(51)57)63-54-29-14-11-25-49(54)50-26-12-15-30-55(50)63/h1-40H.
What are the key properties of 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 833.07 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 90371969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).