N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine

C57H39FN2S — CID 169073799

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cc(F)ccc65)c4)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C57H39FN2S/c1-57(2)50-17-6-3-13-45(50)48-35-43(30-31-51(48)57)59(41-28-23-37(24-29-41)44-16-10-20-55-56(44)47-15-5-8-19-54(47)61-55)40-26-21-36(22-27-40)38-11-9-12-42(33-38)60-52-18-7-4-14-46(52)49-34-39(58)25-32-53(49)60/h3-35H,1-2H3
InChIKeyAAINNDSAUQWCEA-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.40
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 169073799) has the molecular formula C57H39FN2S and a molecular weight of 803.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID169073799
Molecular FormulaC57H39FN2S
Molecular Weight803.02 g/mol
Exact Mass802.28
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cc(F)ccc65)c4)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C57H39FN2S/c1-57(2)50-17-6-3-13-45(50)48-35-43(30-31-51(48)57)59(41-28-23-37(24-29-41)44-16-10-20-55-56(44)47-15-5-8-19-54(47)61-55)40-26-21-36(22-27-40)38-11-9-12-42(33-38)60-52-18-7-4-14-46(52)49-34-39(58)25-32-53(49)60/h3-35H,1-2H3
InChIKeyAAINNDSAUQWCEA-UHFFFAOYSA-N
XLogP16.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 159762340
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755
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,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 167197123
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289088
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine (CID 169073799) is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cc(F)ccc65)c4)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is AAINNDSAUQWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39FN2S/c1-57(2)50-17-6-3-13-45(50)48-35-43(30-31-51(48)57)59(41-28-23-37(24-29-41)44-16-10-20-55-56(44)47-15-5-8-19-54(47)61-55)40-26-21-36(22-27-40)38-11-9-12-42(33-38)60-52-18-7-4-14-46(52)49-34-39(58)25-32-53(49)60/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 803.02 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 169073799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).