8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine

C64H42N2S — CID 155483164

IUPAC8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)c2ccc3sc4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C64H42N2S/c1-2-21-46(22-3-1)65(49-33-32-45-38-44-18-6-11-27-56(44)64(59(45)41-49)57-28-12-9-25-52(57)53-26-10-13-29-58(53)64)47-34-36-62-54(39-47)55-40-48(35-37-63(55)67-62)66(60-30-14-19-42-16-4-7-23-50(42)60)61-31-15-20-43-17-5-8-24-51(43)61/h1-37,39-41H,38H2
InChIKeyUXYZBROKZWZPON-UHFFFAOYSA-N
MW871.12 g/mol
LogP17.57
Rot. Bonds6

About 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine

8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine (PubChem CID 155483164) has the molecular formula C64H42N2S and a molecular weight of 871.12 g/mol. Its IUPAC name is 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine
PubChem CID155483164
Molecular FormulaC64H42N2S
Molecular Weight871.12 g/mol
Exact Mass870.31
IUPAC Name8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)c2ccc3sc4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C64H42N2S/c1-2-21-46(22-3-1)65(49-33-32-45-38-44-18-6-11-27-56(44)64(59(45)41-49)57-28-12-9-25-52(57)53-26-10-13-29-58(53)64)47-34-36-62-54(39-47)55-40-48(35-37-63(55)67-62)66(60-30-14-19-42-16-4-7-23-50(42)60)61-31-15-20-43-17-5-8-24-51(43)61/h1-37,39-41H,38H2
InChIKeyUXYZBROKZWZPON-UHFFFAOYSA-N
XLogP17.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.12
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-phenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 166960069
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
2-N'-dibenzofuran-4-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-dibenzothiophen-2-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N'-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161223026
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 156664763
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 141476561

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine?
The IUPAC name of 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine (CID 155483164) is 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine.
What is the SMILES notation for 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine?
The canonical SMILES for 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4C3)c3ccccc3-c3ccccc32)c2ccc3sc4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine?
The InChIKey is UXYZBROKZWZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2S/c1-2-21-46(22-3-1)65(49-33-32-45-38-44-18-6-11-27-56(44)64(59(45)41-49)57-28-12-9-25-52(57)53-26-10-13-29-58(53)64)47-34-36-62-54(39-47)55-40-48(35-37-63(55)67-62)66(60-30-14-19-42-16-4-7-23-50(42)60)61-31-15-20-43-17-5-8-24-51(43)61/h1-37,39-41H,38H2.
What are the key properties of 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine?
8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine has a molecular weight of 871.12 g/mol, XLogP of 17.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N-dinaphthalen-1-yl-2-N-phenyl-2-N-spiro[10H-anthracene-9,9'-fluorene]-2-yldibenzothiophene-2,8-diamine is sourced from PubChem (CID 155483164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).