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

C144H133N3O2S2 — CID 163636207

IUPACN,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
SMILESC.C.C.C.C.C.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc2c(c1)-c1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO2.C46H35NS2.C46H39N.6CH4/c2*1-4-10-40-34(7-1)37-24-31(13-16-41(37)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-14-17-44-38(25-32)35-8-2-5-11-42(35)48-44)33-15-18-45-39(26-33)36-9-3-6-12-43(36)49-45;1-3-11-33(12-4-1)35-15-9-17-39(28-35)47(40-18-10-16-36(29-40)34-13-5-2-6-14-34)41-21-22-45-43(30-41)42-19-7-8-20-44(42)46(45)37-24-31-23-32(26-37)27-38(46)25-31;;;;;;/h2*1-18,24-30H,19-23H2;1-22,28-32,37-38H,23-27H2;6*1H4
InChIKeyIAHYCOKRDUEGQS-UHFFFAOYSA-N
MW2001.80 g/mol
LogP42.32
Rot. Bonds11

About 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

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 (PubChem CID 163636207) has the molecular formula C144H133N3O2S2 and a molecular weight of 2001.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID163636207
Molecular FormulaC144H133N3O2S2
Molecular Weight2001.80 g/mol
Exact Mass1999.98
IUPAC NameN,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
SMILESC.C.C.C.C.C.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc2c(c1)-c1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO2.C46H35NS2.C46H39N.6CH4/c2*1-4-10-40-34(7-1)37-24-31(13-16-41(37)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-14-17-44-38(25-32)35-8-2-5-11-42(35)48-44)33-15-18-45-39(26-33)36-9-3-6-12-43(36)49-45;1-3-11-33(12-4-1)35-15-9-17-39(28-35)47(40-18-10-16-36(29-40)34-13-5-2-6-14-34)41-21-22-45-43(30-41)42-19-7-8-20-44(42)46(45)37-24-31-23-32(26-37)27-38(46)25-31;;;;;;/h2*1-18,24-30H,19-23H2;1-22,28-32,37-38H,23-27H2;6*1H4
InChIKeyIAHYCOKRDUEGQS-UHFFFAOYSA-N
XLogP42.32
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002001.80
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
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
N-(3-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N-(4-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-1-amine
CID 157240571
N-(4-dibenzofuran-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163702673
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-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
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-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,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine
CID 159080840
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc2c(c1)-c1cc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccccc5c4c3)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is IAHYCOKRDUEGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO2.C46H35NS2.C46H39N.6CH4/c2*1-4-10-40-34(7-1)37-24-31(13-16-41(37)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-14-17-44-38(25-32)35-8-2-5-11-42(35)48-44)33-15-18-45-39(26-33)36-9-3-6-12-43(36)49-45;1-3-11-33(12-4-1)35-15-9-17-39(28-35)47(40-18-10-16-36(29-40)34-13-5-2-6-14-34)41-21-22-45-43(30-41)42-19-7-8-20-44(42)46(45)37-24-31-23-32(26-37)27-38(46)25-31;;;;;;/h2*1-18,24-30H,19-23H2;1-22,28-32,37-38H,23-27H2;6*1H4.
What are the key properties of 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?
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 has a molecular weight of 2001.80 g/mol, XLogP of 42.32, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163636207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).