11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

C69H56N2S — CID 130462753

IUPAC11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)cc1C
InChIInChI=1S/C69H56N2S/c1-41-21-25-49(33-45(41)5)70(50-26-22-42(2)46(6)34-50)53-29-31-58-55-15-9-10-16-56(55)59-32-30-54(71(51-27-23-43(3)47(7)35-51)52-28-24-44(4)48(8)36-52)38-65(59)69(64(58)37-53)63-19-13-11-17-57(63)61-39-62-60-18-12-14-20-67(60)72-68(62)40-66(61)69/h9-40H,1-8H3
InChIKeyQRACNZDARRJBBJ-UHFFFAOYSA-N
MW945.29 g/mol
LogP19.47
Rot. Bonds6

About 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine (PubChem CID 130462753) has the molecular formula C69H56N2S and a molecular weight of 945.29 g/mol. Its IUPAC name is 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.

Molecular Properties

Compound Name11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
PubChem CID130462753
Molecular FormulaC69H56N2S
Molecular Weight945.29 g/mol
Exact Mass944.42
IUPAC Name11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)cc1C
InChIInChI=1S/C69H56N2S/c1-41-21-25-49(33-45(41)5)70(50-26-22-42(2)46(6)34-50)53-29-31-58-55-15-9-10-16-56(55)59-32-30-54(71(51-27-23-43(3)47(7)35-51)52-28-24-44(4)48(8)36-52)38-65(59)69(64(58)37-53)63-19-13-11-17-57(63)61-39-62-60-18-12-14-20-67(60)72-68(62)40-66(61)69/h9-40H,1-8H3
InChIKeyQRACNZDARRJBBJ-UHFFFAOYSA-N
XLogP19.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.29
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine with MolForge

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Related Compounds

N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[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 130262272
N-phenyl-N-spiro[fluoreno[2,3-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'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463393
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-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]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463448
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-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 130463375
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-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'-yldibenzofuran-3-amine
CID 130463385
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluoreno[2,3-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 130463372
N-phenyl-N-spiro[fluoreno[2,3-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]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463442
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714

Frequently Asked Questions

What is the IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-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 130462753) is 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.
What is the SMILES notation for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The canonical SMILES for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3cc4c(cc32)sc2ccccc24)cc1C.
What is the InChIKey of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The InChIKey is QRACNZDARRJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2S/c1-41-21-25-49(33-45(41)5)70(50-26-22-42(2)46(6)34-50)53-29-31-58-55-15-9-10-16-56(55)59-32-30-54(71(51-27-23-43(3)47(7)35-51)52-28-24-44(4)48(8)36-52)38-65(59)69(64(58)37-53)63-19-13-11-17-57(63)61-39-62-60-18-12-14-20-67(60)72-68(62)40-66(61)69/h9-40H,1-8H3.
What are the key properties of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine has a molecular weight of 945.29 g/mol, XLogP of 19.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is sourced from PubChem (CID 130462753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).