2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C59H41N3 — CID 129263708

IUPAC2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c1
InChIInChI=1S/C59H41N3/c1-4-17-42(18-5-1)54-39-55(61-58(60-54)43-19-6-2-7-20-43)46-22-16-21-44(37-46)40-31-33-41(34-32-40)45-35-36-49-48-25-10-11-26-50(48)59(53(49)38-45)51-27-12-14-29-56(51)62(47-23-8-3-9-24-47)57-30-15-13-28-52(57)59/h1-39,58,60H
InChIKeyWYNIVUDXKJDAHG-UHFFFAOYSA-N
MW792.00 g/mol
LogP14.30
Rot. Bonds6

About 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 129263708) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID129263708
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c1
InChIInChI=1S/C59H41N3/c1-4-17-42(18-5-1)54-39-55(61-58(60-54)43-19-6-2-7-20-43)46-22-16-21-44(37-46)40-31-33-41(34-32-40)45-35-36-49-48-25-10-11-26-50(48)59(53(49)38-45)51-27-12-14-29-56(51)62(47-23-8-3-9-24-47)57-30-15-13-28-52(57)59/h1-39,58,60H
InChIKeyWYNIVUDXKJDAHG-UHFFFAOYSA-N
XLogP14.30
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 514.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-2'-[3-[2-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263445
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263212
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
2'-[3-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263707
10-phenyl-4'-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134303834
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
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'-[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'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 129263708) is 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c1.
What is the InChIKey of 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is WYNIVUDXKJDAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-4-17-42(18-5-1)54-39-55(61-58(60-54)43-19-6-2-7-20-43)46-22-16-21-44(37-46)40-31-33-41(34-32-40)45-35-36-49-48-25-10-11-26-50(48)59(53(49)38-45)51-27-12-14-29-56(51)62(47-23-8-3-9-24-47)57-30-15-13-28-52(57)59/h1-39,58,60H.
What are the key properties of 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 792.00 g/mol, XLogP of 14.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).