N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine

C54H37NS — CID 171740916

IUPACN-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H37NS/c1-36-16-15-26-47-52(36)45-31-29-42(35-48(45)54(47,39-20-7-3-8-21-39)40-22-9-4-10-23-40)55(41-30-33-51-46(34-41)44-25-13-14-27-50(44)56-51)49-32-28-37-17-11-12-24-43(37)53(49)38-18-5-2-6-19-38/h2-35H,1H3
InChIKeyIWADZOYKIUOIMJ-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.02
Rot. Bonds6

About N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine

N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine (PubChem CID 171740916) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
PubChem CID171740916
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H37NS/c1-36-16-15-26-47-52(36)45-31-29-42(35-48(45)54(47,39-20-7-3-8-21-39)40-22-9-4-10-23-40)55(41-30-33-51-46(34-41)44-25-13-14-27-50(44)56-51)49-32-28-37-17-11-12-24-43(37)53(49)38-18-5-2-6-19-38/h2-35H,1H3
InChIKeyIWADZOYKIUOIMJ-UHFFFAOYSA-N
XLogP15.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171740895
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741056
N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 169285143
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-9,9-diphenylfluoren-2-amine
CID 168801848
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine (CID 171740916) is N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine?
The InChIKey is IWADZOYKIUOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-36-16-15-26-47-52(36)45-31-29-42(35-48(45)54(47,39-20-7-3-8-21-39)40-22-9-4-10-23-40)55(41-30-33-51-46(34-41)44-25-13-14-27-50(44)56-51)49-32-28-37-17-11-12-24-43(37)53(49)38-18-5-2-6-19-38/h2-35H,1H3.
What are the key properties of N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine?
N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine has a molecular weight of 731.96 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 171740916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).