9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine

C67H56N2O8S4 — CID 90057824

IUPAC9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine
SMILESCc1sc(-c2ccc(N(c3ccc(-c4sc(C)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c7c6OCCO7)cc5)c5ccc(-c6sc(C)c7c6OCCO7)cc5)ccc3-4)cc2)c2c1OCCO2
InChIInChI=1S/C67H56N2O8S4/c1-37-55-59(74-31-27-70-55)63(78-37)41-7-15-45(16-8-41)68(46-17-9-42(10-18-46)64-60-56(38(2)79-64)71-28-32-75-60)49-23-25-51-52-26-24-50(36-54(52)67(5,6)53(51)35-49)69(47-19-11-43(12-20-47)65-61-57(39(3)80-65)72-29-33-76-61)48-21-13-44(14-22-48)66-62-58(40(4)81-66)73-30-34-77-62/h7-26,35-36H,27-34H2,1-6H3
InChIKeyUKMVAZBSTLXUCF-UHFFFAOYSA-N
MW1145.46 g/mol
LogP18.16
Rot. Bonds10

About 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine

9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine (PubChem CID 90057824) has the molecular formula C67H56N2O8S4 and a molecular weight of 1145.46 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine
PubChem CID90057824
Molecular FormulaC67H56N2O8S4
Molecular Weight1145.46 g/mol
Exact Mass1144.29
IUPAC Name9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine
SMILESCc1sc(-c2ccc(N(c3ccc(-c4sc(C)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c7c6OCCO7)cc5)c5ccc(-c6sc(C)c7c6OCCO7)cc5)ccc3-4)cc2)c2c1OCCO2
InChIInChI=1S/C67H56N2O8S4/c1-37-55-59(74-31-27-70-55)63(78-37)41-7-15-45(16-8-41)68(46-17-9-42(10-18-46)64-60-56(38(2)79-64)71-28-32-75-60)49-23-25-51-52-26-24-50(36-54(52)67(5,6)53(51)35-49)69(47-19-11-43(12-20-47)65-61-57(39(3)80-65)72-29-33-76-61)48-21-13-44(14-22-48)66-62-58(40(4)81-66)73-30-34-77-62/h7-26,35-36H,27-34H2,1-6H3
InChIKeyUKMVAZBSTLXUCF-UHFFFAOYSA-N
XLogP18.16
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.46
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N',2-N',7-N',7-N'-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057855
2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine
CID 90057816
9,9-diphenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(7-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluoren-2-amine
CID 157208822
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline
CID 160748751
5-[7-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-4-hexyl-2H-thiophene-5-carbaldehyde
CID 87271681
[2-[10-[7-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7,7-dimethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-cyanoethenyl] formate
CID 76687783
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-[5-[5-[5-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139939126
7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
2-N',2-N',7-N',7-N'-tetrakis[4-(3,4,5-trimethylthiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057821

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine (CID 90057824) is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine is Cc1sc(-c2ccc(N(c3ccc(-c4sc(C)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c7c6OCCO7)cc5)c5ccc(-c6sc(C)c7c6OCCO7)cc5)ccc3-4)cc2)c2c1OCCO2.
What is the InChIKey of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine?
The InChIKey is UKMVAZBSTLXUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O8S4/c1-37-55-59(74-31-27-70-55)63(78-37)41-7-15-45(16-8-41)68(46-17-9-42(10-18-46)64-60-56(38(2)79-64)71-28-32-75-60)49-23-25-51-52-26-24-50(36-54(52)67(5,6)53(51)35-49)69(47-19-11-43(12-20-47)65-61-57(39(3)80-65)72-29-33-76-61)48-21-13-44(14-22-48)66-62-58(40(4)81-66)73-30-34-77-62/h7-26,35-36H,27-34H2,1-6H3.
What are the key properties of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine?
9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine has a molecular weight of 1145.46 g/mol, XLogP of 18.16, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 90057824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).