N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine

C59H39NS — CID 172544603

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H39NS/c1-4-18-42(19-5-1)48-26-14-27-49-50-28-15-32-55(58(50)61-57(48)49)60(47-37-35-41(36-38-47)44-34-33-40-17-10-11-20-43(40)39-44)54-31-16-30-53-56(54)51-25-12-13-29-52(51)59(53,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-39H
InChIKeyOSTPZLYVCZVYKW-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.37
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine (PubChem CID 172544603) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
PubChem CID172544603
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H39NS/c1-4-18-42(19-5-1)48-26-14-27-49-50-28-15-32-55(58(50)61-57(48)49)60(47-37-35-41(36-38-47)44-34-33-40-17-10-11-20-43(40)39-44)54-31-16-30-53-56(54)51-25-12-13-29-52(51)59(53,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-39H
InChIKeyOSTPZLYVCZVYKW-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.04
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
CID 168771967
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114184
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine (CID 172544603) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The InChIKey is OSTPZLYVCZVYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-4-18-42(19-5-1)48-26-14-27-49-50-28-15-32-55(58(50)61-57(48)49)60(47-37-35-41(36-38-47)44-34-33-40-17-10-11-20-43(40)39-44)54-31-16-30-53-56(54)51-25-12-13-29-52(51)59(53,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine has a molecular weight of 794.04 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 172544603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).