3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine

C59H38N2S — CID 134529903

IUPAC3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H38N2S/c1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)58-57(49-25-12-14-29-55(49)62-58)59(52)51-26-13-11-24-48(51)56-53(59)27-15-28-54(56)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46/h1-38H
InChIKeyDCCKAIPFPLZDPA-UHFFFAOYSA-N
MW807.03 g/mol
LogP16.49
Rot. Bonds6

About 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine

3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine (PubChem CID 134529903) has the molecular formula C59H38N2S and a molecular weight of 807.03 g/mol. Its IUPAC name is 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine.

Molecular Properties

Compound Name3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
PubChem CID134529903
Molecular FormulaC59H38N2S
Molecular Weight807.03 g/mol
Exact Mass806.28
IUPAC Name3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C59H38N2S/c1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)58-57(49-25-12-14-29-55(49)62-58)59(52)51-26-13-11-24-48(51)56-53(59)27-15-28-54(56)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46/h1-38H
InChIKeyDCCKAIPFPLZDPA-UHFFFAOYSA-N
XLogP16.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.03
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine with MolForge

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Related Compounds

N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine
CID 134529937
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
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
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
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
CID 159265460
N-[4-(10,10-diphenylindeno[1,2-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550182
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-amine;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-amine
CID 162173800
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775342
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518

Frequently Asked Questions

What is the IUPAC name of 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?
The IUPAC name of 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine (CID 134529903) is 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine.
What is the SMILES notation for 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?
The canonical SMILES for 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine is c1ccc(N(c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?
The InChIKey is DCCKAIPFPLZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2S/c1-3-20-43(21-4-1)60(45-32-30-39-16-7-9-18-41(39)36-45)47-34-35-52-50(38-47)58-57(49-25-12-14-29-55(49)62-58)59(52)51-26-13-11-24-48(51)56-53(59)27-15-28-54(56)61(44-22-5-2-6-23-44)46-33-31-40-17-8-10-19-42(40)37-46/h1-38H.
What are the key properties of 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?
3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine has a molecular weight of 807.03 g/mol, XLogP of 16.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N',4-N-dinaphthalen-2-yl-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine is sourced from PubChem (CID 134529903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).