N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C67H44N2S — CID 118462505

IUPACN-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2S/c1-4-22-49(23-5-1)67(50-24-6-2-7-25-50)60-33-13-10-29-54(60)55-39-38-53(44-61(55)67)68(51-26-8-3-9-27-51)52-28-17-21-47(42-52)45-19-16-20-46(41-45)48-37-40-63-59(43-48)56-30-11-14-34-62(56)69(63)64-35-18-32-58-57-31-12-15-36-65(57)70-66(58)64/h1-44H
InChIKeyUSRQHBZTCOPHKS-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.32
Rot. Bonds8

About N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 118462505) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID118462505
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC NameN-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2S/c1-4-22-49(23-5-1)67(50-24-6-2-7-25-50)60-33-13-10-29-54(60)55-39-38-53(44-61(55)67)68(51-26-8-3-9-27-51)52-28-17-21-47(42-52)45-19-16-20-46(41-45)48-37-40-63-59(43-48)56-30-11-14-34-62(56)69(63)64-35-18-32-58-57-31-12-15-36-65(57)70-66(58)64/h1-44H
InChIKeyUSRQHBZTCOPHKS-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-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118086604
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
3-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-phenyl-N-[3-(3-pyridin-3-ylphenyl)phenyl]aniline;N-[3-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline;N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 158114266
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 118462505) is N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is USRQHBZTCOPHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-4-22-49(23-5-1)67(50-24-6-2-7-25-50)60-33-13-10-29-54(60)55-39-38-53(44-61(55)67)68(51-26-8-3-9-27-51)52-28-17-21-47(42-52)45-19-16-20-46(41-45)48-37-40-63-59(43-48)56-30-11-14-34-62(56)69(63)64-35-18-32-58-57-31-12-15-36-65(57)70-66(58)64/h1-44H.
What are the key properties of N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-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-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 118462505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).