1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C65H43N3 — CID 167178072

IUPAC1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C65H43N3/c1-4-20-44(21-5-1)46-24-16-27-49(40-46)59-43-60(67-64(66-59)51-29-17-25-47(41-51)45-22-6-2-7-23-45)50-28-18-26-48(42-50)53-33-19-34-55-54-32-10-11-35-56(54)65(63(53)55)57-36-12-14-38-61(57)68(52-30-8-3-9-31-52)62-39-15-13-37-58(62)65/h1-43H
InChIKeyYLCBGCCAZBTNMV-UHFFFAOYSA-N
MW866.08 g/mol
LogP16.62
Rot. Bonds7

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

1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 167178072) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID167178072
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C65H43N3/c1-4-20-44(21-5-1)46-24-16-27-49(40-46)59-43-60(67-64(66-59)51-29-17-25-47(41-51)45-22-6-2-7-23-45)50-28-18-26-48(42-50)53-33-19-34-55-54-32-10-11-35-56(54)65(63(53)55)57-36-12-14-38-61(57)68(52-30-8-3-9-31-52)62-39-15-13-37-58(62)65/h1-43H
InChIKeyYLCBGCCAZBTNMV-UHFFFAOYSA-N
XLogP16.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
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'-[4,6-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
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
3-[3-[4-phenyl-6-[3-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]phenyl]aniline
CID 146494811
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-2'-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134304722

Frequently Asked Questions

What is the IUPAC name of 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 167178072) is 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is YLCBGCCAZBTNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-4-20-44(21-5-1)46-24-16-27-49(40-46)59-43-60(67-64(66-59)51-29-17-25-47(41-51)45-22-6-2-7-23-45)50-28-18-26-48(42-50)53-33-19-34-55-54-32-10-11-35-56(54)65(63(53)55)57-36-12-14-38-61(57)68(52-30-8-3-9-31-52)62-39-15-13-37-58(62)65/h1-43H.
What are the key properties of 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 866.08 g/mol, XLogP of 16.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 167178072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).