N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine

C60H51N — CID 160950245

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C60H51N/c1-58(2)52-22-12-11-21-50(52)51-29-27-48(37-56(51)58)61(47-26-25-41-15-9-10-16-42(41)36-47)49-28-30-55-57(38-49)59(43-17-5-3-6-18-43,44-19-7-4-8-20-44)53-23-13-14-24-54(53)60(55)45-32-39-31-40(34-45)35-46(60)33-39/h3-30,36-40,45-46H,31-35H2,1-2H3
InChIKeySQHWUSKCQGCARJ-UHFFFAOYSA-N
MW786.07 g/mol
LogP15.05
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine (PubChem CID 160950245) has the molecular formula C60H51N and a molecular weight of 786.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
PubChem CID160950245
Molecular FormulaC60H51N
Molecular Weight786.07 g/mol
Exact Mass785.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C60H51N/c1-58(2)52-22-12-11-21-50(52)51-29-27-48(37-56(51)58)61(47-26-25-41-15-9-10-16-42(41)36-47)49-28-30-55-57(38-49)59(43-17-5-3-6-18-43,44-19-7-4-8-20-44)53-23-13-14-24-54(53)60(55)45-32-39-31-40(34-45)35-46(60)33-39/h3-30,36-40,45-46H,31-35H2,1-2H3
InChIKeySQHWUSKCQGCARJ-UHFFFAOYSA-N
XLogP15.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
2-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-2-N',9-N'-dinaphthalen-2-ylspiro[adamantane-2,12'-benzo[b]thioxanthene]-2',9'-diamine
CID 162698437
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine
CID 162698445
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399626
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine (CID 160950245) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine?
The InChIKey is SQHWUSKCQGCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N/c1-58(2)52-22-12-11-21-50(52)51-29-27-48(37-56(51)58)61(47-26-25-41-15-9-10-16-42(41)36-47)49-28-30-55-57(38-49)59(43-17-5-3-6-18-43,44-19-7-4-8-20-44)53-23-13-14-24-54(53)60(55)45-32-39-31-40(34-45)35-46(60)33-39/h3-30,36-40,45-46H,31-35H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine has a molecular weight of 786.07 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine is sourced from PubChem (CID 160950245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).