N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine

C47H41N — CID 156567514

IUPACN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C47H41N/c1-46(2)42-13-7-5-11-38(42)40-27-36(17-19-43(40)46)48(35-16-15-31-9-3-4-10-32(31)26-35)37-18-20-45-41(28-37)39-12-6-8-14-44(39)47(45)33-22-29-21-30(24-33)25-34(47)23-29/h3-20,26-30,33-34H,21-25H2,1-2H3
InChIKeyZVKZYWRJIRZAAN-UHFFFAOYSA-N
MW619.85 g/mol
LogP12.34
Rot. Bonds3

About N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 156567514) has the molecular formula C47H41N and a molecular weight of 619.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID156567514
Molecular FormulaC47H41N
Molecular Weight619.85 g/mol
Exact Mass619.32
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C47H41N/c1-46(2)42-13-7-5-11-38(42)40-27-36(17-19-43(40)46)48(35-16-15-31-9-3-4-10-32(31)26-35)37-18-20-45-41(28-37)39-12-6-8-14-44(39)47(45)33-22-29-21-30(24-33)25-34(47)23-29/h3-20,26-30,33-34H,21-25H2,1-2H3
InChIKeyZVKZYWRJIRZAAN-UHFFFAOYSA-N
XLogP12.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.85
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
CID 160950245
N-(9,9-dimethylfluoren-3-yl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722678
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394
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-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine (CID 156567514) is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is ZVKZYWRJIRZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N/c1-46(2)42-13-7-5-11-38(42)40-27-36(17-19-43(40)46)48(35-16-15-31-9-3-4-10-32(31)26-35)37-18-20-45-41(28-37)39-12-6-8-14-44(39)47(45)33-22-29-21-30(24-33)25-34(47)23-29/h3-20,26-30,33-34H,21-25H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 619.85 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 156567514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).