N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine

C57H42N2S — CID 163696552

IUPACN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)=C2)c2ccccc21
InChIInChI=1S/C57H42N2S/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40/h3-31,34-36H,32-33H2,1-2H3
InChIKeyJXLKRKDEQOQRIZ-UHFFFAOYSA-N
MW787.04 g/mol
LogP16.05
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine (PubChem CID 163696552) has the molecular formula C57H42N2S and a molecular weight of 787.04 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine
PubChem CID163696552
Molecular FormulaC57H42N2S
Molecular Weight787.04 g/mol
Exact Mass786.31
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)=C2)c2ccccc21
InChIInChI=1S/C57H42N2S/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40/h3-31,34-36H,32-33H2,1-2H3
InChIKeyJXLKRKDEQOQRIZ-UHFFFAOYSA-N
XLogP16.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.04
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-3,4-dihydrofluoren-2-amine
CID 159412665
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 161237159
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine (CID 163696552) is N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine is CC1(C)C2=C(CCC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)=C2)c2ccccc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine?
The InChIKey is JXLKRKDEQOQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2S/c1-57(2)51-20-9-6-15-45(51)46-33-32-43(36-52(46)57)58(42-30-25-38(26-31-42)44-18-12-19-49-48-17-8-11-22-55(48)60-56(44)49)41-28-23-37(24-29-41)39-27-34-54-50(35-39)47-16-7-10-21-53(47)59(54)40-13-4-3-5-14-40/h3-31,34-36H,32-33H2,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine has a molecular weight of 787.04 g/mol, XLogP of 16.05, 6 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)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3,4-dihydrofluoren-2-amine is sourced from PubChem (CID 163696552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).