4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

C47H31N3 — CID 118372549

IUPAC4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-4-16-32(17-5-1)33-28-30-35(31-29-33)46-48-44(34-18-6-2-7-19-34)43-45(49-46)37-22-10-11-23-38(37)47(43)39-24-12-14-26-41(39)50(36-20-8-3-9-21-36)42-27-15-13-25-40(42)47/h1-31H
InChIKeyGSNOTBAVQLEHQS-UHFFFAOYSA-N
MW637.79 g/mol
LogP11.62
Rot. Bonds4

About 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]

4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (PubChem CID 118372549) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine].

Molecular Properties

Compound Name4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
PubChem CID118372549
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-4-16-32(17-5-1)33-28-30-35(31-29-33)46-48-44(34-18-6-2-7-19-34)43-45(49-46)37-22-10-11-23-38(37)47(43)39-24-12-14-26-41(39)50(36-20-8-3-9-21-36)42-27-15-13-25-40(42)47/h1-31H
InChIKeyGSNOTBAVQLEHQS-UHFFFAOYSA-N
XLogP11.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372584
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
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'-[4,6-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
10-phenyl-2'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 160589680
2'-[3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263735
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730

Frequently Asked Questions

What is the IUPAC name of 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The IUPAC name of 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] (CID 118372549) is 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine].
What is the SMILES notation for 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The canonical SMILES for 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
The InChIKey is GSNOTBAVQLEHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-16-32(17-5-1)33-28-30-35(31-29-33)46-48-44(34-18-6-2-7-19-34)43-45(49-46)37-22-10-11-23-38(37)47(43)39-24-12-14-26-41(39)50(36-20-8-3-9-21-36)42-27-15-13-25-40(42)47/h1-31H.
What are the key properties of 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]?
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] has a molecular weight of 637.79 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine] is sourced from PubChem (CID 118372549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).