N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine

C212H162N4O5S — CID 159274330

IUPACN-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H43NO.C52H39NO2.C52H39NOS.C52H41NO/c1-2-8-40-32-41(14-13-37(40)7-1)38-15-20-45(21-16-38)57(47-24-26-51-50-10-4-6-12-54(50)58-55(51)34-47)46-22-17-39(18-23-46)42-19-25-49-48-9-3-5-11-52(48)56(53(49)33-42)43-28-35-27-36(30-43)31-44(56)29-35;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-50-45(29-38)43-9-3-6-12-49(43)54-50)39-18-21-44-42-8-2-5-11-48(42)55-51(44)30-39;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-51-45(29-38)44-9-3-6-12-50(44)55-51)39-18-21-43-42-8-2-5-11-48(42)54-49(43)30-39;1-2-9-35(10-3-1)37-11-8-12-42(30-37)53(43-22-24-47-46-14-5-7-16-50(46)54-51(47)32-43)41-20-17-36(18-21-41)38-19-23-45-44-13-4-6-15-48(44)52(49(45)31-38)39-26-33-25-34(28-39)29-40(52)27-33/h1-26,32-36,43-44H,27-31H2;2*1-22,28-32,35-36H,23-27H2;1-24,30-34,39-40H,25-29H2
InChIKeyKYCMQKNSMZWQOH-UHFFFAOYSA-N
MW2877.72 g/mol
LogP58.54
Rot. Bonds18

About N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine

N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine (PubChem CID 159274330) has the molecular formula C212H162N4O5S and a molecular weight of 2877.72 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
PubChem CID159274330
Molecular FormulaC212H162N4O5S
Molecular Weight2877.72 g/mol
Exact Mass2875.23
IUPAC NameN-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H43NO.C52H39NO2.C52H39NOS.C52H41NO/c1-2-8-40-32-41(14-13-37(40)7-1)38-15-20-45(21-16-38)57(47-24-26-51-50-10-4-6-12-54(50)58-55(51)34-47)46-22-17-39(18-23-46)42-19-25-49-48-9-3-5-11-52(48)56(53(49)33-42)43-28-35-27-36(30-43)31-44(56)29-35;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-50-45(29-38)43-9-3-6-12-49(43)54-50)39-18-21-44-42-8-2-5-11-48(42)55-51(44)30-39;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-51-45(29-38)44-9-3-6-12-50(44)55-51)39-18-21-43-42-8-2-5-11-48(42)54-49(43)30-39;1-2-9-35(10-3-1)37-11-8-12-42(30-37)53(43-22-24-47-46-14-5-7-16-50(46)54-51(47)32-43)41-20-17-36(18-21-41)38-19-23-45-44-13-4-6-15-48(44)52(49(45)31-38)39-26-33-25-34(28-39)29-40(52)27-33/h1-26,32-36,43-44H,27-31H2;2*1-22,28-32,35-36H,23-27H2;1-24,30-34,39-40H,25-29H2
InChIKeyKYCMQKNSMZWQOH-UHFFFAOYSA-N
XLogP58.54
TPSA78.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms222
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002877.72
LogP ≤ 558.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-dibenzofuran-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;methane
CID 163636207
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N,N-diphenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine
CID 163764873
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 161073329
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)dibenzothiophen-2-amine;N-(4-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 158275834
N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 163870746
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-2-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 161481713

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine (CID 159274330) is N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine?
The InChIKey is KYCMQKNSMZWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO.C52H39NO2.C52H39NOS.C52H41NO/c1-2-8-40-32-41(14-13-37(40)7-1)38-15-20-45(21-16-38)57(47-24-26-51-50-10-4-6-12-54(50)58-55(51)34-47)46-22-17-39(18-23-46)42-19-25-49-48-9-3-5-11-52(48)56(53(49)33-42)43-28-35-27-36(30-43)31-44(56)29-35;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-50-45(29-38)43-9-3-6-12-49(43)54-50)39-18-21-44-42-8-2-5-11-48(42)55-51(44)30-39;1-4-10-46-40(7-1)41-20-15-34(28-47(41)52(46)35-24-31-23-32(26-35)27-36(52)25-31)33-13-16-37(17-14-33)53(38-19-22-51-45(29-38)44-9-3-6-12-50(44)55-51)39-18-21-43-42-8-2-5-11-48(42)54-49(43)30-39;1-2-9-35(10-3-1)37-11-8-12-42(30-37)53(43-22-24-47-46-14-5-7-16-50(46)54-51(47)32-43)41-20-17-36(18-21-41)38-19-23-45-44-13-4-6-15-48(44)52(49(45)31-38)39-26-33-25-34(28-39)29-40(52)27-33/h1-26,32-36,43-44H,27-31H2;2*1-22,28-32,35-36H,23-27H2;1-24,30-34,39-40H,25-29H2.
What are the key properties of N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine has a molecular weight of 2877.72 g/mol, XLogP of 58.54, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 159274330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).