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

C61H40N2S — CID 134530028

IUPAC1-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3sc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(60-58(51)52-28-13-15-33-57(52)64-60)53-30-14-12-27-49(53)50-29-17-32-56(59(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55/h1-40H
InChIKeyPSKCFPREEBLGGN-UHFFFAOYSA-N
MW833.07 g/mol
LogP17.00
Rot. Bonds7

About 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

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 (PubChem CID 134530028) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID134530028
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC Name1-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3sc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(60-58(51)52-28-13-15-33-57(52)64-60)53-30-14-12-27-49(53)50-29-17-32-56(59(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55/h1-40H
InChIKeyPSKCFPREEBLGGN-UHFFFAOYSA-N
XLogP17.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
CID 134530054
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
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
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
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,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-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
8-N'-(9,9-dimethylfluoren-2-yl)-4-N,4-N-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine;4-N,9-N'-dinaphthalen-2-yl-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine;1-N,1-N-diphenyl-8-N'-(3-phenylphenyl)-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1,8'-diamine;methane
CID 157069733
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
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-dibenzothiophen-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N,N-dinaphthalen-2-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N,9-diphenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-ylcarbazol-3-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine;N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine
CID 161352780

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3sc5ccccc5c3-4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is PSKCFPREEBLGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(60-58(51)52-28-13-15-33-57(52)64-60)53-30-14-12-27-49(53)50-29-17-32-56(59(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 833.07 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134530028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).