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

C68H46F6N2O4 — CID 163643804

IUPAC9,9-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
SMILESCc1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4c(c3)-c3cc(N(c5ccc(OC(F)(F)F)cc5)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)cccc12
InChIInChI=1S/C68H46F6N2O4/c1-39-13-9-15-47-49-17-11-23-59(63(49)77-61(39)47)75(41-25-31-45(32-26-41)79-67(69,70)71)43-29-35-53-51(37-43)52-38-44(30-36-54(52)66(53)57-21-7-5-19-55(57)65(3,4)56-20-6-8-22-58(56)66)76(42-27-33-46(34-28-42)80-68(72,73)74)60-24-12-18-50-48-16-10-14-40(2)62(48)78-64(50)60/h5-38H,1-4H3
InChIKeyIGNNOFHEAHWRHM-UHFFFAOYSA-N
MW1069.11 g/mol
LogP19.84
Rot. Bonds8

About 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

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 (PubChem CID 163643804) has the molecular formula C68H46F6N2O4 and a molecular weight of 1069.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID163643804
Molecular FormulaC68H46F6N2O4
Molecular Weight1069.11 g/mol
Exact Mass1068.34
IUPAC Name9,9-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
SMILESCc1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4c(c3)-c3cc(N(c5ccc(OC(F)(F)F)cc5)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)cccc12
InChIInChI=1S/C68H46F6N2O4/c1-39-13-9-15-47-49-17-11-23-59(63(49)77-61(39)47)75(41-25-31-45(32-26-41)79-67(69,70)71)43-29-35-53-51(37-43)52-38-44(30-36-54(52)66(53)57-21-7-5-19-55(57)65(3,4)56-20-6-8-22-58(56)66)76(42-27-33-46(34-28-42)80-68(72,73)74)60-24-12-18-50-48-16-10-14-40(2)62(48)78-64(50)60/h5-38H,1-4H3
InChIKeyIGNNOFHEAHWRHM-UHFFFAOYSA-N
XLogP19.84
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.11
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130309128
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
12,12-dimethyl-3-N,17-N-bis(6-methyldibenzofuran-4-yl)-3-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene-3,17-diamine
CID 90140433
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane
CID 144782082
N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061

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[4-(trifluoromethoxy)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[4-(trifluoromethoxy)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine (CID 163643804) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1oc1c(N(c3ccc(OC(F)(F)F)cc3)c3ccc4c(c3)-c3cc(N(c5ccc(OC(F)(F)F)cc5)c5cccc6c5oc5c(C)cccc56)ccc3C43c4ccccc4C(C)(C)c4ccccc43)cccc12.
What is the InChIKey of 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?
The InChIKey is IGNNOFHEAHWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F6N2O4/c1-39-13-9-15-47-49-17-11-23-59(63(49)77-61(39)47)75(41-25-31-45(32-26-41)79-67(69,70)71)43-29-35-53-51(37-43)52-38-44(30-36-54(52)66(53)57-21-7-5-19-55(57)65(3,4)56-20-6-8-22-58(56)66)76(42-27-33-46(34-28-42)80-68(72,73)74)60-24-12-18-50-48-16-10-14-40(2)62(48)78-64(50)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[4-(trifluoromethoxy)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[4-(trifluoromethoxy)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine has a molecular weight of 1069.11 g/mol, XLogP of 19.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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[4-(trifluoromethoxy)phenyl]spiro[anthracene-10,9'-fluorene]-3',6'-diamine is sourced from PubChem (CID 163643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).