2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

C40H26N4 — CID 118372584

IUPAC2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3ccncc3)c3c(n2)-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H26N4/c1-3-13-28(14-4-1)39-42-37(27-23-25-41-26-24-27)36-38(43-39)30-17-7-8-18-31(30)40(36)32-19-9-11-21-34(32)44(29-15-5-2-6-16-29)35-22-12-10-20-33(35)40/h1-26H
InChIKeyNCYZLNRGJPGRLL-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.35
Rot. Bonds3

About 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (PubChem CID 118372584) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine].

Molecular Properties

Compound Name2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
PubChem CID118372584
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3ccncc3)c3c(n2)-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H26N4/c1-3-13-28(14-4-1)39-42-37(27-23-25-41-26-24-27)36-38(43-39)30-17-7-8-18-31(30)40(36)32-19-9-11-21-34(32)44(29-15-5-2-6-16-29)35-22-12-10-20-33(35)40/h1-26H
InChIKeyNCYZLNRGJPGRLL-UHFFFAOYSA-N
XLogP9.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine];2',10-diphenyl-4'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine];4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,9'-indeno[2,1-d]pyrimidine]
CID 157266633
4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372572
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
3'-[(1Z)-buta-1,3-dienyl]-2'-methyl-1',2-diphenyl-4-pyridin-3-ylspiro[indeno[1,2-d]pyrimidine-5,4'-quinoline]
CID 129089763
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263896
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178072
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
2'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 161230915

Frequently Asked Questions

What is the IUPAC name of 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The IUPAC name of 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (CID 118372584) is 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine].
What is the SMILES notation for 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The canonical SMILES for 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is c1ccc(-c2nc(-c3ccncc3)c3c(n2)-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The InChIKey is NCYZLNRGJPGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-13-28(14-4-1)39-42-37(27-23-25-41-26-24-27)36-38(43-39)30-17-7-8-18-31(30)40(36)32-19-9-11-21-34(32)44(29-15-5-2-6-16-29)35-22-12-10-20-33(35)40/h1-26H.
What are the key properties of 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine] has a molecular weight of 562.68 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is sourced from PubChem (CID 118372584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).