N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine

C53H35NS — CID 167324703

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C53H35NS/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)45-27-12-9-26-44(45)52-46(53)28-16-31-49(52)54(48-30-15-18-36-17-7-8-23-40(36)48)47-29-13-10-24-41(47)37-33-34-43-42-25-11-14-32-50(42)55-51(43)35-37/h1-35H
InChIKeyOEQQHAKGWAKTSG-UHFFFAOYSA-N
MW717.94 g/mol
LogP14.71
Rot. Bonds6

About N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine

N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine (PubChem CID 167324703) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
PubChem CID167324703
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C53H35NS/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)45-27-12-9-26-44(45)52-46(53)28-16-31-49(52)54(48-30-15-18-36-17-7-8-23-40(36)48)47-29-13-10-24-41(47)37-33-34-43-42-25-11-14-32-50(42)55-51(43)35-37/h1-35H
InChIKeyOEQQHAKGWAKTSG-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.94
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121395
2-dibenzothiophen-3-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278720
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine (CID 167324703) is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccccc4-c4ccc5c(c4)sc4ccccc45)c4cccc5ccccc45)cccc32)cc1.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine?
The InChIKey is OEQQHAKGWAKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)45-27-12-9-26-44(45)52-46(53)28-16-31-49(52)54(48-30-15-18-36-17-7-8-23-40(36)48)47-29-13-10-24-41(47)37-33-34-43-42-25-11-14-32-50(42)55-51(43)35-37/h1-35H.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine has a molecular weight of 717.94 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 167324703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).