1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]

C54H34N4 — CID 140910464

IUPAC1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c43)c3ccccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-21-37(22-3-1)58-48-33-12-10-31-46(48)54(47-32-11-13-34-49(47)58)45-30-9-8-25-40(45)41-26-16-29-44(50(41)54)53-56-51(42-27-14-19-35-17-4-6-23-38(35)42)55-52(57-53)43-28-15-20-36-18-5-7-24-39(36)43/h1-34H
InChIKeyFPHCADZHFDNREF-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.33
Rot. Bonds4

About 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]

1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 140910464) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID140910464
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c43)c3ccccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-21-37(22-3-1)58-48-33-12-10-31-46(48)54(47-32-11-13-34-49(47)58)45-30-9-8-25-40(45)41-26-16-29-44(50(41)54)53-56-51(42-27-14-19-35-17-4-6-23-38(35)42)55-52(57-53)43-28-15-20-36-18-5-7-24-39(36)43/h1-34H
InChIKeyFPHCADZHFDNREF-UHFFFAOYSA-N
XLogP13.33
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372572
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790
2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167359801
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167177028
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178072
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 142353689
2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263896
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724

Frequently Asked Questions

What is the IUPAC name of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene] (CID 140910464) is 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c43)c3ccccc32)cc1.
What is the InChIKey of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is FPHCADZHFDNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-21-37(22-3-1)58-48-33-12-10-31-46(48)54(47-32-11-13-34-49(47)58)45-30-9-8-25-40(45)41-26-16-29-44(50(41)54)53-56-51(42-27-14-19-35-17-4-6-23-38(35)42)55-52(57-53)43-28-15-20-36-18-5-7-24-39(36)43/h1-34H.
What are the key properties of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 738.89 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 140910464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).