N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline

C75H50N2OS — CID 168839903

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C75H50N2OS/c1-75(2)64-42-35-50(45-62(64)58-41-34-51(46-65(58)75)57-22-14-26-68-73(57)60-20-7-11-25-67(60)77(68)52-16-4-3-5-17-52)55-18-6-10-24-66(55)76(53-37-30-47(31-38-53)49-36-43-72-63(44-49)59-19-9-13-29-71(59)79-72)54-39-32-48(33-40-54)56-23-15-28-70-74(56)61-21-8-12-27-69(61)78-70/h3-46H,1-2H3
InChIKeyJKMOWHUSNYSTCX-UHFFFAOYSA-N
MW1027.31 g/mol
LogP21.50
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline (PubChem CID 168839903) has the molecular formula C75H50N2OS and a molecular weight of 1027.31 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
PubChem CID168839903
Molecular FormulaC75H50N2OS
Molecular Weight1027.31 g/mol
Exact Mass1026.36
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C75H50N2OS/c1-75(2)64-42-35-50(45-62(64)58-41-34-51(46-65(58)75)57-22-14-26-68-73(57)60-20-7-11-25-67(60)77(68)52-16-4-3-5-17-52)55-18-6-10-24-66(55)76(53-37-30-47(31-38-53)49-36-43-72-63(44-49)59-19-9-13-29-71(59)79-72)54-39-32-48(33-40-54)56-23-15-28-70-74(56)61-21-8-12-27-69(61)78-70/h3-46H,1-2H3
InChIKeyJKMOWHUSNYSTCX-UHFFFAOYSA-N
XLogP21.50
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.31
LogP ≤ 521.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839445
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
CID 121358602
N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839404
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138577627
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)aniline
CID 168839647
7-deuterio-N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(6-deuterio-9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160500090
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline?
The IUPAC name of 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) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline is CC1(C)c2ccc(-c3ccccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline?
The InChIKey is JKMOWHUSNYSTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2OS/c1-75(2)64-42-35-50(45-62(64)58-41-34-51(46-65(58)75)57-22-14-26-68-73(57)60-20-7-11-25-67(60)77(68)52-16-4-3-5-17-52)55-18-6-10-24-66(55)76(53-37-30-47(31-38-53)49-36-43-72-63(44-49)59-19-9-13-29-71(59)79-72)54-39-32-48(33-40-54)56-23-15-28-70-74(56)61-21-8-12-27-69(61)78-70/h3-46H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline has a molecular weight of 1027.31 g/mol, XLogP of 21.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline is sourced from PubChem (CID 168839903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).