9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine

C68H46F6N2O2 — CID 163743757

IUPAC9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
SMILESCc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(C(F)(F)F)cc6)c6cccc7c6oc6c(C)cccc67)ccc5-4)c4ccccc4C(C)(C)c4ccccc43)cccc12
InChIInChI=1S/C68H46F6N2O2/c1-39-13-9-15-49-51-17-11-23-59(63(51)77-61(39)49)75(43-29-25-41(26-30-43)67(69,70)71)45-33-35-47-48-36-34-46(38-58(48)66(57(47)37-45)55-21-7-5-19-53(55)65(3,4)54-20-6-8-22-56(54)66)76(44-31-27-42(28-32-44)68(72,73)74)60-24-12-18-52-50-16-10-14-40(2)62(50)78-64(52)60/h5-38H,1-4H3
InChIKeyLKAKSMVNURNLMH-UHFFFAOYSA-N
MW1037.12 g/mol
LogP20.08
Rot. Bonds6

About 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine

9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine (PubChem CID 163743757) has the molecular formula C68H46F6N2O2 and a molecular weight of 1037.12 g/mol. Its IUPAC name is 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
PubChem CID163743757
Molecular FormulaC68H46F6N2O2
Molecular Weight1037.12 g/mol
Exact Mass1036.35
IUPAC Name9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
SMILESCc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(C(F)(F)F)cc6)c6cccc7c6oc6c(C)cccc67)ccc5-4)c4ccccc4C(C)(C)c4ccccc43)cccc12
InChIInChI=1S/C68H46F6N2O2/c1-39-13-9-15-49-51-17-11-23-59(63(51)77-61(39)49)75(43-29-25-41(26-30-43)67(69,70)71)45-33-35-47-48-36-34-46(38-58(48)66(57(47)37-45)55-21-7-5-19-53(55)65(3,4)54-20-6-8-22-56(54)66)76(44-31-27-42(28-32-44)68(72,73)74)60-24-12-18-52-50-16-10-14-40(2)62(50)78-64(52)60/h5-38H,1-4H3
InChIKeyLKAKSMVNURNLMH-UHFFFAOYSA-N
XLogP20.08
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.12
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

9,9-dimethyl-3-N',6-N'-bis(6-methyldibenzofuran-4-yl)-3-N',6-N'-bis[2-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine
CID 162610303
9,9-dimethyl-3-N',6-N'-bis(6-methyldibenzofuran-4-yl)-3-N',6-N'-bis[4-(trifluoromethoxy)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine
CID 163643804
6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile
CID 153110788
2-[[6'-(2-cyano-N-(6-methyldibenzofuran-4-yl)anilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile
CID 163583021
N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane
CID 144782082
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
7-methyl-N-(6-methyldibenzofuran-4-yl)-N,2-bis(4-trimethylsilylphenyl)spiro[5-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.019,27.020,25]octacosa-1(28),3(15),4(12),6,8,10,13,17,19(27),20(25),21,23-dodecaene-26,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-23-amine
CID 140873294
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 160873998
N-(6-methyldibenzofuran-4-yl)-N-[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 138652491

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine?
The IUPAC name of 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine (CID 163743757) is 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine is Cc1cccc2c1oc1c(N(c3ccc(C(F)(F)F)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(C(F)(F)F)cc6)c6cccc7c6oc6c(C)cccc67)ccc5-4)c4ccccc4C(C)(C)c4ccccc43)cccc12.
What is the InChIKey of 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine?
The InChIKey is LKAKSMVNURNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F6N2O2/c1-39-13-9-15-49-51-17-11-23-59(63(51)77-61(39)49)75(43-29-25-41(26-30-43)67(69,70)71)45-33-35-47-48-36-34-46(38-58(48)66(57(47)37-45)55-21-7-5-19-53(55)65(3,4)54-20-6-8-22-56(54)66)76(44-31-27-42(28-32-44)68(72,73)74)60-24-12-18-52-50-16-10-14-40(2)62(50)78-64(52)60/h5-38H,1-4H3.
What are the key properties of 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine?
9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine has a molecular weight of 1037.12 g/mol, XLogP of 20.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 163743757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).