N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine

C59H49N — CID 171736050

IUPACN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C59H49N/c1-58(2)53-20-12-11-18-48(53)49-24-22-45(36-56(49)58)60(57-28-25-46(40-15-7-4-8-16-40)47-17-9-10-19-50(47)57)44-23-27-55-52(35-44)51-34-41(39-13-5-3-6-14-39)21-26-54(51)59(55)42-30-37-29-38(32-42)33-43(59)31-37/h3-28,34-38,42-43H,29-33H2,1-2H3
InChIKeyAVZOYDWGNSSGRR-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.67
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 171736050) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID171736050
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C59H49N/c1-58(2)53-20-12-11-18-48(53)49-24-22-45(36-56(49)58)60(57-28-25-46(40-15-7-4-8-16-40)47-17-9-10-19-50(47)57)44-23-27-55-52(35-44)51-34-41(39-13-5-3-6-14-39)21-26-54(51)59(55)42-30-37-29-38(32-42)33-43(59)31-37/h3-28,34-38,42-43H,29-33H2,1-2H3
InChIKeyAVZOYDWGNSSGRR-UHFFFAOYSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
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)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(4-phenylnaphthalen-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722773
N-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 156573632
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158875023
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 171736050) is N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is AVZOYDWGNSSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-58(2)53-20-12-11-18-48(53)49-24-22-45(36-56(49)58)60(57-28-25-46(40-15-7-4-8-16-40)47-17-9-10-19-50(47)57)44-23-27-55-52(35-44)51-34-41(39-13-5-3-6-14-39)21-26-54(51)59(55)42-30-37-29-38(32-42)33-43(59)31-37/h3-28,34-38,42-43H,29-33H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 772.05 g/mol, XLogP of 15.67, 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)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 171736050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).