N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

C63H44N2S — CID 138577563

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c45)cc3)cc21
InChIInChI=1S/C63H44N2S/c1-63(2)55-20-11-9-18-50(55)51-35-28-45(39-56(51)63)43-26-33-49(34-27-43)64(48-31-24-42(25-32-48)41-14-5-3-6-15-41)58-22-13-23-61-62(58)54-38-44(30-37-60(54)66-61)46-29-36-53-52-19-10-12-21-57(52)65(59(53)40-46)47-16-7-4-8-17-47/h3-40H,1-2H3
InChIKeyWCUVHBJGNXDEEI-UHFFFAOYSA-N
MW861.13 g/mol
LogP17.93
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 138577563) has the molecular formula C63H44N2S and a molecular weight of 861.13 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID138577563
Molecular FormulaC63H44N2S
Molecular Weight861.13 g/mol
Exact Mass860.32
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c45)cc3)cc21
InChIInChI=1S/C63H44N2S/c1-63(2)55-20-11-9-18-50(55)51-35-28-45(39-56(51)63)43-26-33-49(34-27-43)64(48-31-24-42(25-32-48)41-14-5-3-6-15-41)58-22-13-23-61-62(58)54-38-44(30-37-60(54)66-61)46-29-36-53-52-19-10-12-21-57(52)65(59(53)40-46)47-16-7-4-8-17-47/h3-40H,1-2H3
InChIKeyWCUVHBJGNXDEEI-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-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138484635
N,N-bis(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 138484969
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 138484878
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 159135474
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038321
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 159946266
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 138577563) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c45)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is WCUVHBJGNXDEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2S/c1-63(2)55-20-11-9-18-50(55)51-35-28-45(39-56(51)63)43-26-33-49(34-27-43)64(48-31-24-42(25-32-48)41-14-5-3-6-15-41)58-22-13-23-61-62(58)54-38-44(30-37-60(54)66-61)46-29-36-53-52-19-10-12-21-57(52)65(59(53)40-46)47-16-7-4-8-17-47/h3-40H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine 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-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 138577563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).