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

C68H46F6N2O2 — CID 162610303

IUPAC9,9-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
SMILESCc1cccc2c1oc1c(N(c3ccc4c(c3)-c3cc(N(c5ccccc5C(F)(F)F)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)c3ccccc3C(F)(F)F)cccc12
InChIInChI=1S/C68H46F6N2O2/c1-39-17-13-19-43-45-21-15-31-59(63(45)77-61(39)43)75(57-29-11-9-27-55(57)67(69,70)71)41-33-35-49-47(37-41)48-38-42(34-36-50(48)66(49)53-25-7-5-23-51(53)65(3,4)52-24-6-8-26-54(52)66)76(58-30-12-10-28-56(58)68(72,73)74)60-32-16-22-46-44-20-14-18-40(2)62(44)78-64(46)60/h5-38H,1-4H3
InChIKeyFFOHJYILCUEKJE-UHFFFAOYSA-N
MW1037.12 g/mol
LogP20.08
Rot. Bonds6

About 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

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 (PubChem CID 162610303) has the molecular formula C68H46F6N2O2 and a molecular weight of 1037.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID162610303
Molecular FormulaC68H46F6N2O2
Molecular Weight1037.12 g/mol
Exact Mass1036.35
IUPAC Name9,9-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
SMILESCc1cccc2c1oc1c(N(c3ccc4c(c3)-c3cc(N(c5ccccc5C(F)(F)F)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)c3ccccc3C(F)(F)F)cccc12
InChIInChI=1S/C68H46F6N2O2/c1-39-17-13-19-43-45-21-15-31-59(63(45)77-61(39)43)75(57-29-11-9-27-55(57)67(69,70)71)41-33-35-49-47(37-41)48-38-42(34-36-50(48)66(49)53-25-7-5-23-51(53)65(3,4)52-24-6-8-26-54(52)66)76(58-30-12-10-28-56(58)68(72,73)74)60-32-16-22-46-44-20-14-18-40(2)62(44)78-64(46)60/h5-38H,1-4H3
InChIKeyFFOHJYILCUEKJE-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-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 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[4-(trifluoromethoxy)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine
CID 163643804
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
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
15-N'-(6-methyldibenzofuran-4-yl)-9-N',15-N'-diphenyl-9-N'-[6-(trifluoromethyl)dibenzofuran-4-yl]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',15'-diamine
CID 160985657
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-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
6-tert-butyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139827
12,12-dimethyl-7-N,17-N-bis(6-methyldibenzofuran-4-yl)-7-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
CID 90140416
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1oc1c(N(c3ccc4c(c3)-c3cc(N(c5ccccc5C(F)(F)F)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)c3ccccc3C(F)(F)F)cccc12.
What is the InChIKey of 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?
The InChIKey is FFOHJYILCUEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F6N2O2/c1-39-17-13-19-43-45-21-15-31-59(63(45)77-61(39)43)75(57-29-11-9-27-55(57)67(69,70)71)41-33-35-49-47(37-41)48-38-42(34-36-50(48)66(49)53-25-7-5-23-51(53)65(3,4)52-24-6-8-26-54(52)66)76(58-30-12-10-28-56(58)68(72,73)74)60-32-16-22-46-44-20-14-18-40(2)62(44)78-64(46)60/h5-38H,1-4H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 162610303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).