N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine

C67H44N2S — CID 121424709

IUPACN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-18-48(19-4-1)67(49-20-5-2-6-21-49)61-29-11-7-23-55(61)60-44-53(41-42-62(60)67)68(50-39-35-46(36-40-50)54-27-16-28-59-58-26-10-14-32-65(58)70-66(54)59)52-22-15-17-47(43-52)45-33-37-51(38-34-45)69-63-30-12-8-24-56(63)57-25-9-13-31-64(57)69/h1-44H
InChIKeyBDHZVYCXFWTLBG-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.32
Rot. Bonds8

About N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine

N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 121424709) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID121424709
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-18-48(19-4-1)67(49-20-5-2-6-21-49)61-29-11-7-23-55(61)60-44-53(41-42-62(60)67)68(50-39-35-46(36-40-50)54-27-16-28-59-58-26-10-14-32-65(58)70-66(54)59)52-22-15-17-47(43-52)45-33-37-51(38-34-45)69-63-30-12-8-24-56(63)57-25-9-13-31-64(57)69/h1-44H
InChIKeyBDHZVYCXFWTLBG-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,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-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425052
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
CID 118462496
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-dibenzothiophen-4-ylphenyl)-4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N-phenylaniline
CID 89492150
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 121424709) is N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1.
What is the InChIKey of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is BDHZVYCXFWTLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-3-18-48(19-4-1)67(49-20-5-2-6-21-49)61-29-11-7-23-55(61)60-44-53(41-42-62(60)67)68(50-39-35-46(36-40-50)54-27-16-28-59-58-26-10-14-32-65(58)70-66(54)59)52-22-15-17-47(43-52)45-33-37-51(38-34-45)69-63-30-12-8-24-56(63)57-25-9-13-31-64(57)69/h1-44H.
What are the key properties of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 121424709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).