2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine

C106H66N4S2 — CID 134533563

IUPAC2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4cccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C6(c8ccccc8-7)c7cc(N(c8ccccc8)c8ccccc8)ccc7-c7sc8ccccc8c76)ccc45)ccc3-c3sc4ccccc4c32)cc1
InChIInChI=1S/C106H66N4S2/c1-6-28-70(29-7-1)107(71-30-8-2-9-31-71)75-51-56-82-80-38-16-21-43-90(80)105(92(82)63-75)95-65-77(54-59-86(95)104-101(105)87-41-19-24-47-99(87)112-104)109(74-36-14-5-15-37-74)96-46-26-27-69-61-67(49-55-79(69)96)68-50-60-98-89(62-68)84-40-18-23-45-97(84)110(98)78-52-57-83-81-39-17-22-44-91(81)106(93(83)66-78)94-64-76(108(72-32-10-3-11-33-72)73-34-12-4-13-35-73)53-58-85(94)103-102(106)88-42-20-25-48-100(88)111-103/h1-66H
InChIKeyHNDWUXUPYIFFHK-UHFFFAOYSA-N
MW1459.86 g/mol
LogP29.13
Rot. Bonds11

About 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine

2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine (PubChem CID 134533563) has the molecular formula C106H66N4S2 and a molecular weight of 1459.86 g/mol. Its IUPAC name is 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine.

Molecular Properties

Compound Name2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine
PubChem CID134533563
Molecular FormulaC106H66N4S2
Molecular Weight1459.86 g/mol
Exact Mass1458.47
IUPAC Name2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4cccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C6(c8ccccc8-7)c7cc(N(c8ccccc8)c8ccccc8)ccc7-c7sc8ccccc8c76)ccc45)ccc3-c3sc4ccccc4c32)cc1
InChIInChI=1S/C106H66N4S2/c1-6-28-70(29-7-1)107(71-30-8-2-9-31-71)75-51-56-82-80-38-16-21-43-90(80)105(92(82)63-75)95-65-77(54-59-86(95)104-101(105)87-41-19-24-47-99(87)112-104)109(74-36-14-5-15-37-74)96-46-26-27-69-61-67(49-55-79(69)96)68-50-60-98-89(62-68)84-40-18-23-45-97(84)110(98)78-52-57-83-81-39-17-22-44-91(81)106(93(83)66-78)94-64-76(108(72-32-10-3-11-33-72)73-34-12-4-13-35-73)53-58-85(94)103-102(106)88-42-20-25-48-100(88)111-103/h1-66H
InChIKeyHNDWUXUPYIFFHK-UHFFFAOYSA-N
XLogP29.13
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.86
LogP ≤ 529.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine?
The IUPAC name of 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine (CID 134533563) is 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine.
What is the SMILES notation for 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine?
The canonical SMILES for 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4cccc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)C6(c8ccccc8-7)c7cc(N(c8ccccc8)c8ccccc8)ccc7-c7sc8ccccc8c76)ccc45)ccc3-c3sc4ccccc4c32)cc1.
What is the InChIKey of 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine?
The InChIKey is HNDWUXUPYIFFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4S2/c1-6-28-70(29-7-1)107(71-30-8-2-9-31-71)75-51-56-82-80-38-16-21-43-90(80)105(92(82)63-75)95-65-77(54-59-86(95)104-101(105)87-41-19-24-47-99(87)112-104)109(74-36-14-5-15-37-74)96-46-26-27-69-61-67(49-55-79(69)96)68-50-60-98-89(62-68)84-40-18-23-45-97(84)110(98)78-52-57-83-81-39-17-22-44-91(81)106(93(83)66-78)94-64-76(108(72-32-10-3-11-33-72)73-34-12-4-13-35-73)53-58-85(94)103-102(106)88-42-20-25-48-100(88)111-103/h1-66H.
What are the key properties of 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine?
2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine has a molecular weight of 1459.86 g/mol, XLogP of 29.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N'-triphenyl-2-N'-[6-[9-[2'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl]carbazol-3-yl]naphthalen-1-yl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,2'-diamine is sourced from PubChem (CID 134533563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).