4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile

C56H42N2 — CID 168798705

IUPAC4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc8ccccc78)c6)cc5)ccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C56H42N2/c57-34-35-13-15-38(16-14-35)43-21-23-49-50-24-22-44(31-53(50)56(52(49)30-43)46-26-36-25-37(28-46)29-47(56)27-36)39-17-19-40(20-18-39)45-32-54(42-8-2-1-3-9-42)58-55(33-45)51-12-6-10-41-7-4-5-11-48(41)51/h1-24,30-33,36-37,46-47H,25-29H2
InChIKeyUZLUONCEAMGHFU-UHFFFAOYSA-N
MW742.97 g/mol
LogP14.16
Rot. Bonds5

About 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile

4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile (PubChem CID 168798705) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile.

Molecular Properties

Compound Name4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
PubChem CID168798705
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc8ccccc78)c6)cc5)ccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C56H42N2/c57-34-35-13-15-38(16-14-35)43-21-23-49-50-24-22-44(31-53(50)56(52(49)30-43)46-26-36-25-37(28-46)29-47(56)27-36)39-17-19-40(20-18-39)45-32-54(42-8-2-1-3-9-42)58-55(33-45)51-12-6-10-41-7-4-5-11-48(41)51/h1-24,30-33,36-37,46-47H,25-29H2
InChIKeyUZLUONCEAMGHFU-UHFFFAOYSA-N
XLogP14.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798658
4-[7'-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798490
4-[6'-[4-[2-(3-methylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798695
7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
CID 168798424
7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-2'-carbonitrile
CID 168798437
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7'-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-carbonitrile
CID 168798544
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
7'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798400
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
2,4-diphenyl-6-[4-(2-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)naphthalen-1-yl]pyrimidine
CID 176795363
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
CID 164811683

Frequently Asked Questions

What is the IUPAC name of 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile?
The IUPAC name of 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile (CID 168798705) is 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile.
What is the SMILES notation for 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile?
The canonical SMILES for 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc8ccccc78)c6)cc5)ccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile?
The InChIKey is UZLUONCEAMGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c57-34-35-13-15-38(16-14-35)43-21-23-49-50-24-22-44(31-53(50)56(52(49)30-43)46-26-36-25-37(28-46)29-47(56)27-36)39-17-19-40(20-18-39)45-32-54(42-8-2-1-3-9-42)58-55(33-45)51-12-6-10-41-7-4-5-11-48(41)51/h1-24,30-33,36-37,46-47H,25-29H2.
What are the key properties of 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile?
4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile has a molecular weight of 742.97 g/mol, XLogP of 14.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile is sourced from PubChem (CID 168798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).