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

C55H37NS2 — CID 156522425

IUPACN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccccc5c4-c4ccc5sc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C55H37NS2/c1-55(2)47-16-8-5-13-41(47)42-27-21-36(32-48(42)55)34-19-24-38(25-20-34)56(39-26-30-53-46(33-39)44-15-7-10-18-51(44)58-53)49-28-22-35-11-3-4-12-40(35)54(49)37-23-29-52-45(31-37)43-14-6-9-17-50(43)57-52/h3-33H,1-2H3
InChIKeyDBOXPOCHPPSSGK-UHFFFAOYSA-N
MW776.04 g/mol
LogP16.69
Rot. Bonds5

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

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 156522425) has the molecular formula C55H37NS2 and a molecular weight of 776.04 g/mol. Its IUPAC name is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID156522425
Molecular FormulaC55H37NS2
Molecular Weight776.04 g/mol
Exact Mass775.24
IUPAC NameN-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccccc5c4-c4ccc5sc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C55H37NS2/c1-55(2)47-16-8-5-13-41(47)42-27-21-36(32-48(42)55)34-19-24-38(25-20-34)56(39-26-30-53-46(33-39)44-15-7-10-18-51(44)58-53)49-28-22-35-11-3-4-12-40(35)54(49)37-23-29-52-45(31-37)43-14-6-9-17-50(43)57-52/h3-33H,1-2H3
InChIKeyDBOXPOCHPPSSGK-UHFFFAOYSA-N
XLogP16.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.04
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 163846166
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine (CID 156522425) is N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccccc5c4-c4ccc5sc6ccccc6c5c4)cc3)cc21.
What is the InChIKey of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is DBOXPOCHPPSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS2/c1-55(2)47-16-8-5-13-41(47)42-27-21-36(32-48(42)55)34-19-24-38(25-20-34)56(39-26-30-53-46(33-39)44-15-7-10-18-51(44)58-53)49-28-22-35-11-3-4-12-40(35)54(49)37-23-29-52-45(31-37)43-14-6-9-17-50(43)57-52/h3-33H,1-2H3.
What are the key properties of N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine?
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 776.04 g/mol, XLogP of 16.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 156522425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).