N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine

C61H43NS — CID 144827396

IUPACN-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C61H43NS/c1-61(2)56-37-44(47-24-13-18-40-17-6-7-21-46(40)47)30-33-50(56)51-34-31-45(38-57(51)61)62-58-27-10-8-22-52(58)49-32-29-41(39-15-4-3-5-16-39)36-55(49)43-20-12-19-42(35-43)48-25-14-26-54-53-23-9-11-28-59(53)63-60(48)54/h3-38,62H,1-2H3
InChIKeyLTJYYNXBJFVCDK-UHFFFAOYSA-N
MW822.09 g/mol
LogP17.59
Rot. Bonds7

About N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine

N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine (PubChem CID 144827396) has the molecular formula C61H43NS and a molecular weight of 822.09 g/mol. Its IUPAC name is N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
PubChem CID144827396
Molecular FormulaC61H43NS
Molecular Weight822.09 g/mol
Exact Mass821.31
IUPAC NameN-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C61H43NS/c1-61(2)56-37-44(47-24-13-18-40-17-6-7-21-46(40)47)30-33-50(56)51-34-31-45(38-57(51)61)62-58-27-10-8-22-52(58)49-32-29-41(39-15-4-3-5-16-39)36-55(49)43-20-12-19-42(35-43)48-25-14-26-54-53-23-9-11-28-59(53)63-60(48)54/h3-38,62H,1-2H3
InChIKeyLTJYYNXBJFVCDK-UHFFFAOYSA-N
XLogP17.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.09
LogP ≤ 517.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]dibenzothiophene
CID 59196128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine (CID 144827396) is N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine is CC1(C)c2cc(Nc3ccccc3-c3ccc(-c4ccccc4)cc3-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The InChIKey is LTJYYNXBJFVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NS/c1-61(2)56-37-44(47-24-13-18-40-17-6-7-21-46(40)47)30-33-50(56)51-34-31-45(38-57(51)61)62-58-27-10-8-22-52(58)49-32-29-41(39-15-4-3-5-16-39)36-55(49)43-20-12-19-42(35-43)48-25-14-26-54-53-23-9-11-28-59(53)63-60(48)54/h3-38,62H,1-2H3.
What are the key properties of N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine has a molecular weight of 822.09 g/mol, XLogP of 17.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 144827396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).