N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine

C49H40N2 — CID 156573702

IUPACN-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine
SMILESc1ccc(-c2cccc(N(c3cccnc3)c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)c2)cc1
InChIInChI=1S/C49H40N2/c1-2-10-34(11-3-1)35-12-6-13-39(29-35)51(40-14-9-23-50-31-40)48-20-8-17-42-41(16-7-18-44(42)48)36-21-22-47-45(30-36)43-15-4-5-19-46(43)49(47)37-25-32-24-33(27-37)28-38(49)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyOQKXSLZAIROVEF-UHFFFAOYSA-N
MW656.87 g/mol
LogP12.76
Rot. Bonds5

About N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine

N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine (PubChem CID 156573702) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine
PubChem CID156573702
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC NameN-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine
SMILESc1ccc(-c2cccc(N(c3cccnc3)c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)c2)cc1
InChIInChI=1S/C49H40N2/c1-2-10-34(11-3-1)35-12-6-13-39(29-35)51(40-14-9-23-50-31-40)48-20-8-17-42-41(16-7-18-44(42)48)36-21-22-47-45(30-36)43-15-4-5-19-46(43)49(47)37-25-32-24-33(27-37)28-38(49)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyOQKXSLZAIROVEF-UHFFFAOYSA-N
XLogP12.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
8-phenyl-5-(4-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)isoquinoline
CID 166017802
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-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine (CID 156573702) is N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine is c1ccc(-c2cccc(N(c3cccnc3)c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine?
The InChIKey is OQKXSLZAIROVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N2/c1-2-10-34(11-3-1)35-12-6-13-39(29-35)51(40-14-9-23-50-31-40)48-20-8-17-42-41(16-7-18-44(42)48)36-21-22-47-45(30-36)43-15-4-5-19-46(43)49(47)37-25-32-24-33(27-37)28-38(49)26-32/h1-23,29-33,37-38H,24-28H2.
What are the key properties of N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine?
N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine has a molecular weight of 656.87 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)pyridin-3-amine is sourced from PubChem (CID 156573702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).