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

C69H46N2S — CID 134529798

IUPAC2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc4-c4c3sc3ccccc43)cc2)cc1
InChIInChI=1S/C69H46N2S/c1-5-17-47(18-6-1)50-29-35-54(36-30-50)70(53-23-11-4-12-24-53)57-41-43-60-59-25-13-15-27-63(59)69(64(60)45-57)65-46-58(42-44-61(65)67-62-26-14-16-28-66(62)72-68(67)69)71(55-37-31-51(32-38-55)48-19-7-2-8-20-48)56-39-33-52(34-40-56)49-21-9-3-10-22-49/h1-46H
InChIKeyZLBFHBFBCOGZPU-UHFFFAOYSA-N
MW935.21 g/mol
LogP19.19
Rot. Bonds9

About 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

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 (PubChem CID 134529798) has the molecular formula C69H46N2S and a molecular weight of 935.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
PubChem CID134529798
Molecular FormulaC69H46N2S
Molecular Weight935.21 g/mol
Exact Mass934.34
IUPAC Name2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc4-c4c3sc3ccccc43)cc2)cc1
InChIInChI=1S/C69H46N2S/c1-5-17-47(18-6-1)50-29-35-54(36-30-50)70(53-23-11-4-12-24-53)57-41-43-60-59-25-13-15-27-63(59)69(64(60)45-57)65-46-58(42-44-61(65)67-62-26-14-16-28-66(62)72-68(67)69)71(55-37-31-51(32-38-55)48-19-7-2-8-20-48)56-39-33-52(34-40-56)49-21-9-3-10-22-49/h1-46H
InChIKeyZLBFHBFBCOGZPU-UHFFFAOYSA-N
XLogP19.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.21
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
(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-(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-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
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
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-amine
CID 134530054
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
N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)dibenzothiophen-3-amine
CID 134551503
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,N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462449
N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine
CID 145291813

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc4-c4c3sc3ccccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZLBFHBFBCOGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2S/c1-5-17-47(18-6-1)50-29-35-54(36-30-50)70(53-23-11-4-12-24-53)57-41-43-60-59-25-13-15-27-63(59)69(64(60)45-57)65-46-58(42-44-61(65)67-62-26-14-16-28-66(62)72-68(67)69)71(55-37-31-51(32-38-55)48-19-7-2-8-20-48)56-39-33-52(34-40-56)49-21-9-3-10-22-49/h1-46H.
What are the key properties of 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?
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 has a molecular weight of 935.21 g/mol, XLogP of 19.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134529798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).