N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine

C248H190N8O6S — CID 163969722

IUPACN-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/3C52H40N2O.C46H35NO2.C46H35NOS/c1-5-13-46-40(9-1)45-30-38(22-24-47(45)52(46)34-26-32-25-33(28-34)29-35(52)27-32)53(39-21-23-44-43-12-4-8-16-50(43)55-51(44)31-39)36-17-19-37(20-18-36)54-48-14-6-2-10-41(48)42-11-3-7-15-49(42)54;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)42-21-18-38(30-49(42)54)53(39-19-22-44-43-14-6-9-17-50(43)55-51(44)31-39)37-20-23-47-45(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)45-30-38(20-23-49(45)54)53(39-18-21-43-42-14-6-9-17-50(42)55-51(43)31-39)37-19-22-47-44(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-37-35-8-2-5-11-42(35)48-44(37)25-32)33-14-17-38-36-9-3-6-12-43(36)49-45(38)26-33;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-36-35-8-2-5-11-42(35)48-43(36)25-32)33-14-17-38-37-9-3-6-12-44(37)49-45(38)26-33/h1-24,30-35H,25-29H2;2*1-23,29-35H,24-28H2;2*1-18,24-30H,19-23H2
InChIKeySOYCLBMIFRUCAV-UHFFFAOYSA-N
MW3410.36 g/mol
LogP67.45
Rot. Bonds18

About N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine

N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine (PubChem CID 163969722) has the molecular formula C248H190N8O6S and a molecular weight of 3410.36 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
PubChem CID163969722
Molecular FormulaC248H190N8O6S
Molecular Weight3410.36 g/mol
Exact Mass3407.45
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/3C52H40N2O.C46H35NO2.C46H35NOS/c1-5-13-46-40(9-1)45-30-38(22-24-47(45)52(46)34-26-32-25-33(28-34)29-35(52)27-32)53(39-21-23-44-43-12-4-8-16-50(43)55-51(44)31-39)36-17-19-37(20-18-36)54-48-14-6-2-10-41(48)42-11-3-7-15-49(42)54;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)42-21-18-38(30-49(42)54)53(39-19-22-44-43-14-6-9-17-50(43)55-51(44)31-39)37-20-23-47-45(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)45-30-38(20-23-49(45)54)53(39-18-21-43-42-14-6-9-17-50(42)55-51(43)31-39)37-19-22-47-44(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-37-35-8-2-5-11-42(35)48-44(37)25-32)33-14-17-38-36-9-3-6-12-43(36)49-45(38)26-33;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-36-35-8-2-5-11-42(35)48-43(36)25-32)33-14-17-38-37-9-3-6-12-44(37)49-45(38)26-33/h1-24,30-35H,25-29H2;2*1-23,29-35H,24-28H2;2*1-18,24-30H,19-23H2
InChIKeySOYCLBMIFRUCAV-UHFFFAOYSA-N
XLogP67.45
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms263
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003410.36
LogP ≤ 567.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine (CID 163969722) is N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?
The InChIKey is SOYCLBMIFRUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H40N2O.C46H35NO2.C46H35NOS/c1-5-13-46-40(9-1)45-30-38(22-24-47(45)52(46)34-26-32-25-33(28-34)29-35(52)27-32)53(39-21-23-44-43-12-4-8-16-50(43)55-51(44)31-39)36-17-19-37(20-18-36)54-48-14-6-2-10-41(48)42-11-3-7-15-49(42)54;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)42-21-18-38(30-49(42)54)53(39-19-22-44-43-14-6-9-17-50(43)55-51(44)31-39)37-20-23-47-45(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)45-30-38(20-23-49(45)54)53(39-18-21-43-42-14-6-9-17-50(42)55-51(43)31-39)37-19-22-47-44(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-37-35-8-2-5-11-42(35)48-44(37)25-32)33-14-17-38-36-9-3-6-12-43(36)49-45(38)26-33;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-36-35-8-2-5-11-42(35)48-43(36)25-32)33-14-17-38-37-9-3-6-12-44(37)49-45(38)26-33/h1-24,30-35H,25-29H2;2*1-23,29-35H,24-28H2;2*1-18,24-30H,19-23H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine has a molecular weight of 3410.36 g/mol, XLogP of 67.45, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine is sourced from PubChem (CID 163969722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).