7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile

C43H33N5 — CID 167269992

IUPAC7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
SMILESN#Cc1cncc2c1-c1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C43H33N5/c44-23-33-24-45-25-38-39(33)36-15-14-32(22-37(36)43(38)34-17-26-16-27(19-34)20-35(43)18-26)42-47-40(29-10-5-2-6-11-29)46-41(48-42)31-13-7-12-30(21-31)28-8-3-1-4-9-28/h1-15,21-22,24-27,34-35H,16-20H2
InChIKeyNKMBWOKKUWBZKN-UHFFFAOYSA-N
MW619.77 g/mol
LogP9.53
Rot. Bonds4

About 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile

7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile (PubChem CID 167269992) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile.

Molecular Properties

Compound Name7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
PubChem CID167269992
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
SMILESN#Cc1cncc2c1-c1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C43H33N5/c44-23-33-24-45-25-38-39(33)36-15-14-32(22-37(36)43(38)34-17-26-16-27(19-34)20-35(43)18-26)42-47-40(29-10-5-2-6-11-29)46-41(48-42)31-13-7-12-30(21-31)28-8-3-1-4-9-28/h1-15,21-22,24-27,34-35H,16-20H2
InChIKeyNKMBWOKKUWBZKN-UHFFFAOYSA-N
XLogP9.53
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7'-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
CID 167269644
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-carbonitrile
CID 168798698
2-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]benzonitrile
CID 168798558
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7'-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-carbonitrile
CID 168798544
7'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798400
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
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-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164969449
2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine
CID 166017987
2-[3-[4-[3-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166017826
2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165062913

Frequently Asked Questions

What is the IUPAC name of 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile?
The IUPAC name of 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile (CID 167269992) is 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile.
What is the SMILES notation for 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile?
The canonical SMILES for 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile is N#Cc1cncc2c1-c1ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile?
The InChIKey is NKMBWOKKUWBZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c44-23-33-24-45-25-38-39(33)36-15-14-32(22-37(36)43(38)34-17-26-16-27(19-34)20-35(43)18-26)42-47-40(29-10-5-2-6-11-29)46-41(48-42)31-13-7-12-30(21-31)28-8-3-1-4-9-28/h1-15,21-22,24-27,34-35H,16-20H2.
What are the key properties of 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile?
7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile has a molecular weight of 619.77 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile is sourced from PubChem (CID 167269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).