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

C65H41NS — CID 168772166

IUPACN-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C65H41NS/c1-3-18-44(19-4-1)49-39-40-50(45-20-5-2-6-21-45)64-61(49)54-26-15-32-60(63(54)67-64)66(48-37-35-43(36-38-48)47-34-33-42-17-7-8-22-46(42)41-47)59-31-16-30-58-62(59)53-25-11-14-29-57(53)65(58)55-27-12-9-23-51(55)52-24-10-13-28-56(52)65/h1-41H
InChIKeyLJMBAEAYSGLHIO-UHFFFAOYSA-N
MW868.12 g/mol
LogP18.02
Rot. Bonds6

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

N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (PubChem CID 168772166) has the molecular formula C65H41NS and a molecular weight of 868.12 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
PubChem CID168772166
Molecular FormulaC65H41NS
Molecular Weight868.12 g/mol
Exact Mass867.30
IUPAC NameN-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C65H41NS/c1-3-18-44(19-4-1)49-39-40-50(45-20-5-2-6-21-45)64-61(49)54-26-15-32-60(63(54)67-64)66(48-37-35-43(36-38-48)47-34-33-42-17-7-8-22-46(42)41-47)59-31-16-30-58-62(59)53-25-11-14-29-57(53)65(58)55-27-12-9-23-51(55)52-24-10-13-28-56(52)65/h1-41H
InChIKeyLJMBAEAYSGLHIO-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-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzothiophen-4-amine
CID 168771967
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 159418135
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
2',7'-ditert-butyl-N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170117072
N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 166589713
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730535
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine (CID 168772166) is N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
The InChIKey is LJMBAEAYSGLHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NS/c1-3-18-44(19-4-1)49-39-40-50(45-20-5-2-6-21-45)64-61(49)54-26-15-32-60(63(54)67-64)66(48-37-35-43(36-38-48)47-34-33-42-17-7-8-22-46(42)41-47)59-31-16-30-58-62(59)53-25-11-14-29-57(53)65(58)55-27-12-9-23-51(55)52-24-10-13-28-56(52)65/h1-41H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine?
N-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-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-(4-naphthalen-2-ylphenyl)-6,9-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 168772166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).