N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline

C63H44N2S — CID 168839445

IUPACN-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H44N2S/c1-63(2)55-38-34-42(39-54(55)50-37-33-43(40-56(50)63)48-24-16-29-59-61(48)53-23-10-13-28-58(53)65(59)45-19-7-4-8-20-45)47-21-9-12-27-57(47)64(44-17-5-3-6-18-44)46-35-31-41(32-36-46)49-25-15-26-52-51-22-11-14-30-60(51)66-62(49)52/h3-40H,1-2H3
InChIKeyLEMJNVXKHXOVFQ-UHFFFAOYSA-N
MW861.13 g/mol
LogP17.93
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline (PubChem CID 168839445) has the molecular formula C63H44N2S and a molecular weight of 861.13 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
PubChem CID168839445
Molecular FormulaC63H44N2S
Molecular Weight861.13 g/mol
Exact Mass860.32
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H44N2S/c1-63(2)55-38-34-42(39-54(55)50-37-33-43(40-56(50)63)48-24-16-29-59-61(48)53-23-10-13-28-58(53)65(59)45-19-7-4-8-20-45)47-21-9-12-27-57(47)64(44-17-5-3-6-18-44)46-35-31-41(32-36-46)49-25-15-26-52-51-22-11-14-30-60(51)66-62(49)52/h3-40H,1-2H3
InChIKeyLEMJNVXKHXOVFQ-UHFFFAOYSA-N
XLogP17.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.13
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
CID 168839903
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839404
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660654
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 155138309
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170142720
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-4-amine;N-(2,4-diphenylphenyl)-N-phenylphenanthren-4-amine;N-phenanthren-4-yl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158853787
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline (CID 168839445) is N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline is CC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The InChIKey is LEMJNVXKHXOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2S/c1-63(2)55-38-34-42(39-54(55)50-37-33-43(40-56(50)63)48-24-16-29-59-61(48)53-23-10-13-28-58(53)65(59)45-19-7-4-8-20-45)47-21-9-12-27-57(47)64(44-17-5-3-6-18-44)46-35-31-41(32-36-46)49-25-15-26-52-51-22-11-14-30-60(51)66-62(49)52/h3-40H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline has a molecular weight of 861.13 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline is sourced from PubChem (CID 168839445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).