9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine

C55H40N2S — CID 144587893

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(s4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C55H40N2S/c1-55(2)49-19-11-9-17-46(49)47-34-33-45(35-50(47)55)56(42-27-21-39(22-28-42)37-13-5-3-6-14-37)43-31-25-41(26-32-43)53-36-52-54(58-53)48-18-10-12-20-51(48)57(52)44-29-23-40(24-30-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyMUJKKBJIKWRIFA-UHFFFAOYSA-N
MW761.01 g/mol
LogP15.62
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine (PubChem CID 144587893) has the molecular formula C55H40N2S and a molecular weight of 761.01 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine
PubChem CID144587893
Molecular FormulaC55H40N2S
Molecular Weight761.01 g/mol
Exact Mass760.29
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(s4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C55H40N2S/c1-55(2)49-19-11-9-17-46(49)47-34-33-45(35-50(47)55)56(42-27-21-39(22-28-42)37-13-5-3-6-14-37)43-31-25-41(26-32-43)53-36-52-54(58-53)48-18-10-12-20-51(48)57(52)44-29-23-40(24-30-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyMUJKKBJIKWRIFA-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.01
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-diphenylthieno[3,2-b]indol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 144587886
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine (CID 144587893) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(s4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine?
The InChIKey is MUJKKBJIKWRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2S/c1-55(2)49-19-11-9-17-46(49)47-34-33-45(35-50(47)55)56(42-27-21-39(22-28-42)37-13-5-3-6-14-37)43-31-25-41(26-32-43)53-36-52-54(58-53)48-18-10-12-20-51(48)57(52)44-29-23-40(24-30-44)38-15-7-4-8-16-38/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine has a molecular weight of 761.01 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)thieno[3,2-b]indol-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 144587893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).