N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine

C65H41NS — CID 172545003

IUPACN-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4)ccc(N(c4ccccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C65H41NS/c1-3-20-43(21-4-1)46-31-18-33-53-62-60(41-40-47(64(62)67-63(46)53)44-22-5-2-6-23-44)66(58-38-16-12-29-51(58)48-32-17-25-42-24-7-8-26-45(42)48)59-39-19-37-57-61(59)52-30-11-15-36-56(52)65(57)54-34-13-9-27-49(54)50-28-10-14-35-55(50)65/h1-41H
InChIKeyFIHBXGOVSLXHAZ-UHFFFAOYSA-N
MW868.12 g/mol
LogP18.02
Rot. Bonds6

About N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine

N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine (PubChem CID 172545003) has the molecular formula C65H41NS and a molecular weight of 868.12 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine
PubChem CID172545003
Molecular FormulaC65H41NS
Molecular Weight868.12 g/mol
Exact Mass867.30
IUPAC NameN-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4)ccc(N(c4ccccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C65H41NS/c1-3-20-43(21-4-1)46-31-18-33-53-62-60(41-40-47(64(62)67-63(46)53)44-22-5-2-6-23-44)66(58-38-16-12-29-51(58)48-32-17-25-42-24-7-8-26-45(42)48)59-39-19-37-57-61(59)52-30-11-15-36-56(52)65(57)54-34-13-9-27-49(54)50-28-10-14-35-55(50)65/h1-41H
InChIKeyFIHBXGOVSLXHAZ-UHFFFAOYSA-N
XLogP18.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.12
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 168772166
N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172544875
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170117389
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-naphthalen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135166872
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine (CID 172545003) is N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine is c1ccc(-c2cccc3c2sc2c(-c4ccccc4)ccc(N(c4ccccc4-c4cccc5ccccc45)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine?
The InChIKey is FIHBXGOVSLXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NS/c1-3-20-43(21-4-1)46-31-18-33-53-62-60(41-40-47(64(62)67-63(46)53)44-22-5-2-6-23-44)66(58-38-16-12-29-51(58)48-32-17-25-42-24-7-8-26-45(42)48)59-39-19-37-57-61(59)52-30-11-15-36-56(52)65(57)54-34-13-9-27-49(54)50-28-10-14-35-55(50)65/h1-41H.
What are the key properties of N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine?
N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine has a molecular weight of 868.12 g/mol, XLogP of 18.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 172545003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).