N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine

C67H44N2S — CID 118462496

IUPACN-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c3)c2)c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H44N2S/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54/h1-44H
InChIKeyXWMBLPPHQPIXRU-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.32
Rot. Bonds8

About N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine

N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine (PubChem CID 118462496) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
PubChem CID118462496
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC NameN-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c3)c2)c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H44N2S/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54/h1-44H
InChIKeyXWMBLPPHQPIXRU-UHFFFAOYSA-N
XLogP18.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.17
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline
CID 157148125
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
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 122524701
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-[3-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,5-diphenylthiophen-2-amine;N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]phenyl]phenyl]naphthalen-2-amine
CID 159292909
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine?
The IUPAC name of N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine (CID 118462496) is N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine.
What is the SMILES notation for N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine?
The canonical SMILES for N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine is c1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c3)c2)c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine?
The InChIKey is XWMBLPPHQPIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54/h1-44H.
What are the key properties of N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine?
N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine has a molecular weight of 909.17 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine is sourced from PubChem (CID 118462496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).