10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]

C42H35N3 — CID 166017823

IUPAC10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc3ccccc23)cc1
InChIInChI=1S/C42H35N3/c1-3-11-29(12-4-1)40-34-15-7-9-17-37(34)43-41(44-40)30-19-20-36-39(26-30)45(33-13-5-2-6-14-33)38-18-10-8-16-35(38)42(36)31-22-27-21-28(24-31)25-32(42)23-27/h1-20,26-28,31-32H,21-25H2
InChIKeyZEVBGXBYVNWUNJ-UHFFFAOYSA-N
MW581.76 g/mol
LogP10.49
Rot. Bonds3

About 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]

10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane] (PubChem CID 166017823) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
PubChem CID166017823
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc3ccccc23)cc1
InChIInChI=1S/C42H35N3/c1-3-11-29(12-4-1)40-34-15-7-9-17-37(34)43-41(44-40)30-19-20-36-39(26-30)45(33-13-5-2-6-14-33)38-18-10-8-16-35(38)42(36)31-22-27-21-28(24-31)25-32(42)23-27/h1-20,26-28,31-32H,21-25H2
InChIKeyZEVBGXBYVNWUNJ-UHFFFAOYSA-N
XLogP10.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
CID 166017943
10-phenyl-2-[4-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[acridine-9,2'-adamantane]
CID 166018119
2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 166018027
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
14-phenyl-11-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216067
14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216060
2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017926
14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216167
2-[3-[4-(4-fluoranthen-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017922
[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 171600909
8,14,22-triphenyl-5-[4-(4-phenylquinazolin-2-yl)phenyl]-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 153293400
10-phenyl-2'-[2-(2-phenylquinazolin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 129263859

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane] (CID 166017823) is 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane] is c1ccc(-c2nc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C43C4CC5CC(C4)CC3C5)nc3ccccc23)cc1.
What is the InChIKey of 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]?
The InChIKey is ZEVBGXBYVNWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3/c1-3-11-29(12-4-1)40-34-15-7-9-17-37(34)43-41(44-40)30-19-20-36-39(26-30)45(33-13-5-2-6-14-33)38-18-10-8-16-35(38)42(36)31-22-27-21-28(24-31)25-32(42)23-27/h1-20,26-28,31-32H,21-25H2.
What are the key properties of 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]?
10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane] has a molecular weight of 581.76 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 166017823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).