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

C150H125N3S2 — CID 163650615

IUPACN-(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
SMILESC.C.c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/2C50H39NS.C48H39N.2CH4/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-22-49-45(29-36)43-10-4-6-12-48(43)52-49)41-20-21-47-44(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-44-43-10-4-6-12-48(43)52-49(44)29-36)41-20-22-47-45(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31;;/h2*1-22,28-32,37-38H,23-27H2;1-21,27-32,39-40H,22-26H2;2*1H4
InChIKeyILYHEUNNSJKDTR-UHFFFAOYSA-N
MW2033.80 g/mol
LogP42.26
Rot. Bonds12

About 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

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 (PubChem CID 163650615) has the molecular formula C150H125N3S2 and a molecular weight of 2033.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163650615
Molecular FormulaC150H125N3S2
Molecular Weight2033.80 g/mol
Exact Mass2031.93
IUPAC NameN-(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
SMILESC.C.c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/2C50H39NS.C48H39N.2CH4/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-22-49-45(29-36)43-10-4-6-12-48(43)52-49)41-20-21-47-44(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-44-43-10-4-6-12-48(43)52-49(44)29-36)41-20-22-47-45(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31;;/h2*1-22,28-32,37-38H,23-27H2;1-21,27-32,39-40H,22-26H2;2*1H4
InChIKeyILYHEUNNSJKDTR-UHFFFAOYSA-N
XLogP42.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002033.80
LogP ≤ 542.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163601569
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
CID 159214980
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-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
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,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
1-N-dibenzothiophen-3-yl-1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-ylpyrene-1,6-diamine
CID 166050424
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-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3ccccc3c2)c1.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is ILYHEUNNSJKDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H39NS.C48H39N.2CH4/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-22-49-45(29-36)43-10-4-6-12-48(43)52-49)41-20-21-47-44(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-44-43-10-4-6-12-48(43)52-49(44)29-36)41-20-22-47-45(30-41)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-3-10-35-27-38(17-16-33(35)8-1)37-12-7-13-41(29-37)49(42-19-18-34-9-2-4-11-36(34)28-42)43-20-21-47-45(30-43)44-14-5-6-15-46(44)48(47)39-23-31-22-32(25-39)26-40(48)24-31;;/h2*1-22,28-32,37-38H,23-27H2;1-21,27-32,39-40H,22-26H2;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2033.80 g/mol, XLogP of 42.26, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163650615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).