2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine

C55H36N2S — CID 134529814

IUPAC2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc42)c2sc4ccccc4c2-3)cc1
InChIInChI=1S/C55H36N2S/c1-4-19-38(20-5-1)56(39-21-6-2-7-22-39)41-32-34-46-50(35-41)55(54-53(46)47-27-13-15-30-52(47)58-54)48-28-14-12-26-44(48)45-33-31-42(36-49(45)55)57(40-23-8-3-9-24-40)51-29-16-18-37-17-10-11-25-43(37)51/h1-36H
InChIKeyCWKMMQLHBYJHPY-UHFFFAOYSA-N
MW756.97 g/mol
LogP15.34
Rot. Bonds6

About 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine

2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine (PubChem CID 134529814) has the molecular formula C55H36N2S and a molecular weight of 756.97 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine.

Molecular Properties

Compound Name2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
PubChem CID134529814
Molecular FormulaC55H36N2S
Molecular Weight756.97 g/mol
Exact Mass756.26
IUPAC Name2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc42)c2sc4ccccc4c2-3)cc1
InChIInChI=1S/C55H36N2S/c1-4-19-38(20-5-1)56(39-21-6-2-7-22-39)41-32-34-46-50(35-41)55(54-53(46)47-27-13-15-30-52(47)58-54)48-28-14-12-26-44(48)45-33-31-42(36-49(45)55)57(40-23-8-3-9-24-40)51-29-16-18-37-17-10-11-25-43(37)51/h1-36H
InChIKeyCWKMMQLHBYJHPY-UHFFFAOYSA-N
XLogP15.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.97
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine with MolForge

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Related Compounds

8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529815
9-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine
CID 134530034
1-N-naphthalen-1-yl-1-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine
CID 134530028
1-N,1-N,4-N-triphenyl-4-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylbenzene-1,4-diamine
CID 134551493
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;2-N,8-N'-dinaphthalen-1-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;2-N,8-N'-dinaphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,2-N,8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 162239348
2-N-(4-cyclohexa-1,3-dien-5-yn-1-ylphenyl)-8-N'-naphthalen-1-yl-8-N'-phenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;ethane
CID 145291336
(9S)-2-N-(9,9-diphenylfluoren-2-yl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134533543
2-N-dibenzothiophen-2-yl-8-N'-dibenzothiophen-4-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529832
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
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

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine?
The IUPAC name of 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) is 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine.
What is the SMILES notation for 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine?
The canonical SMILES for 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc42)c2sc4ccccc4c2-3)cc1.
What is the InChIKey of 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine?
The InChIKey is CWKMMQLHBYJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S/c1-4-19-38(20-5-1)56(39-21-6-2-7-22-39)41-32-34-46-50(35-41)55(54-53(46)47-27-13-15-30-52(47)58-54)48-28-14-12-26-44(48)45-33-31-42(36-49(45)55)57(40-23-8-3-9-24-40)51-29-16-18-37-17-10-11-25-43(37)51/h1-36H.
What are the key properties of 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine?
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine has a molecular weight of 756.97 g/mol, XLogP of 15.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine is sourced from PubChem (CID 134529814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).