N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C61H40N2S — CID 121381231

IUPACN-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H40N2S/c1-2-15-42(16-3-1)61(55-24-9-4-17-49(55)50-18-5-10-25-56(50)61)43-31-35-45(36-32-43)62(44-33-29-41(30-34-44)48-22-14-23-54-53-21-8-13-28-59(53)64-60(48)54)46-37-39-47(40-38-46)63-57-26-11-6-19-51(57)52-20-7-12-27-58(52)63/h1-40H
InChIKeySLKBNQNAVGDCNL-UHFFFAOYSA-N
MW833.07 g/mol
LogP16.65
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 121381231) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID121381231
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H40N2S/c1-2-15-42(16-3-1)61(55-24-9-4-17-49(55)50-18-5-10-25-56(50)61)43-31-35-45(36-32-43)62(44-33-29-41(30-34-44)48-22-14-23-54-53-21-8-13-28-59(53)64-60(48)54)46-37-39-47(40-38-46)63-57-26-11-6-19-51(57)52-20-7-12-27-58(52)63/h1-40H
InChIKeySLKBNQNAVGDCNL-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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 158676127
N-(4-dibenzothiophen-4-ylphenyl)-4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N-phenylaniline
CID 89492150
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424239
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425052
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 121381231) is N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is SLKBNQNAVGDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-2-15-42(16-3-1)61(55-24-9-4-17-49(55)50-18-5-10-25-56(50)61)43-31-35-45(36-32-43)62(44-33-29-41(30-34-44)48-22-14-23-54-53-21-8-13-28-59(53)64-60(48)54)46-37-39-47(40-38-46)63-57-26-11-6-19-51(57)52-20-7-12-27-58(52)63/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline 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 N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 121381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).